data_2e5n_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 2e5n _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.2 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.851 0.358 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -55.18 -24.38 26.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -80.43 152.26 72.88 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.644 0.735 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 134.84 29.11 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.273 . . . . 0.0 112.389 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.452 ' O ' ' C ' ' A' ' 15' ' ' ARG . 5.6 t80 -41.84 -61.05 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 14' ' ' TYR . 15.1 ttp180 -33.52 -66.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -43.73 -57.52 3.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.413 ' HA ' ' CZ2' ' A' ' 80' ' ' TRP . 64.9 mtp180 -49.52 -37.15 25.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.9 t -70.56 -65.53 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.465 HG13 ' N ' ' A' ' 20' ' ' HIS . 27.4 pt -48.36 -43.93 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.717 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 13.2 m80 -53.2 -27.54 22.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.805 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.403 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 58.9 mt -88.42 -47.46 8.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.7 mt -64.17 -22.18 66.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.469 ' CA ' HD11 ' A' ' 68' ' ' LEU . . . -54.16 -69.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.1 mt -43.5 -46.36 6.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.408 ' HE2' ' CE1' ' A' ' 27' ' ' TYR . 31.4 pttt -161.59 169.93 20.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.93 143.3 43.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.408 ' CE1' ' HE2' ' A' ' 25' ' ' LYS . 12.2 m-85 -130.13 154.92 47.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.91 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 29' ' ' LYS . 8.7 mptt -91.76 147.72 22.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.899 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.589 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.2 tptm -35.81 -54.68 1.32 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.608 0.718 . . . . 0.0 110.904 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.2 Cg_endo -69.73 -50.48 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.651 2.234 . . . . 0.0 112.357 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 32' ' ' LEU . 9.8 tt0 -54.52 -66.96 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 31' ' ' GLU . 0.5 OUTLIER -34.11 -44.16 0.17 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 35' ' ' ARG . 12.8 mt -61.24 -55.29 33.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.501 ' O ' ' CG ' ' A' ' 38' ' ' LYS . . . -40.21 -24.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 33' ' ' LEU . 13.9 mmt180 -85.16 -44.49 12.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' GLN . 10.4 mt -78.87 -54.04 6.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.434 ' NE2' ' HB ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -35.91 -45.64 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -42.44 -58.37 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.79 -24.22 65.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.68 111.81 1.83 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.492 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.434 ' HB ' ' NE2' ' A' ' 37' ' ' GLN . 18.9 t -114.47 123.64 70.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.83 0.348 . . . . 0.0 111.146 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -64.67 136.19 56.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -57.55 -49.67 75.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -56.53 -24.57 47.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -87.7 -36.33 17.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.853 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -42.65 -34.24 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -82.82 -42.49 17.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 98.4 p -60.59 -35.63 76.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.47 ' CD2' ' HG ' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -39.79 -57.37 1.57 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.38 -38.18 12.87 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.435 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.82 -41.85 64.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.798 0.332 . . . . 0.0 111.105 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.0 mt -63.3 -46.95 94.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.519 ' HB3' ' CD1' ' A' ' 66' ' ' TYR . 13.9 mt -47.79 -32.44 6.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -89.03 -20.21 24.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -84.86 -24.05 28.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.418 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 34.8 m -124.94 -21.81 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.172 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.462 ' CA ' ' O ' ' A' ' 53' ' ' LEU . . . -124.4 177.31 5.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.113 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -134.46 121.7 21.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.531 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 3.1 tt -78.6 130.31 35.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -108.55 104.21 13.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.7 p -43.19 -26.03 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.3 tptt -49.11 -67.62 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -117.21 23.62 11.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.2 mt 43.36 33.14 0.57 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.9 p -106.29 135.72 47.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.531 ' CE1' ' HB2' ' A' ' 59' ' ' LEU . 92.1 m-85 -83.95 131.41 34.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.1 p -111.13 124.48 52.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.163 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.551 HD13 ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -61.41 122.09 14.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.475 ' N ' HD22 ' A' ' 68' ' ' LEU . 40.3 mttt -48.76 178.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.559 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 26.8 t0 -89.9 -61.47 1.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.557 ' CE1' HG22 ' A' ' 72' ' ' VAL . 2.6 p90 -48.87 -44.3 39.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.557 HG22 ' CE1' ' A' ' 71' ' ' TYR . 81.6 t -46.93 -36.25 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.15 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.577 ' CD2' ' HG3' ' A' ' 98' ' ' LYS . 26.2 m-85 -47.59 -32.48 5.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -73.21 -29.54 62.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -74.73 -24.07 58.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 64.2 mt -54.39 178.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -130.33 114.94 16.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 85.0 mtm-85 -60.97 -17.64 52.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -105.61 31.89 4.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.717 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 73.2 t-105 -71.52 125.49 91.77 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.532 0.682 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -0.26 6.64 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.697 2.265 . . . . 0.0 112.355 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -92.06 -8.08 63.53 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.555 ' CD2' ' HB3' ' A' ' 80' ' ' TRP . 24.2 m-85 -98.23 114.1 26.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.896 0.379 . . . . 0.0 110.918 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.8 m -71.52 176.73 4.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -47.91 -25.55 1.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.406 ' CD1' ' N ' ' A' ' 86' ' ' ILE . 3.0 mp -94.32 -56.88 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.198 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -41.76 -55.17 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.439 ' HG3' ' CB ' ' A' ' 83' ' ' TYR . 46.4 mtp180 -44.5 -50.1 9.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.402 ' CG ' ' O ' ' A' ' 86' ' ' ILE . 5.0 ptm180 -74.29 -19.4 60.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 t -85.03 -19.45 31.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.537 HD12 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.17 -42.33 9.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.94 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -45.84 -24.34 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.3 t -70.27 -70.39 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 97' ' ' ARG . 61.9 t -37.91 -66.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.461 HD13 ' CD2' ' A' ' 91' ' ' LEU . 14.8 mt -42.01 -39.69 1.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.2 t -71.95 -31.57 66.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 94' ' ' VAL . 8.2 mmt180 -79.92 -28.85 39.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.577 ' HG3' ' CD2' ' A' ' 73' ' ' PHE . 8.5 mmmt -93.16 -58.49 2.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 64.2 mt -68.37 94.45 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.877 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.5 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.78 0.324 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -44.56 -27.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -77.12 152.63 82.19 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.625 0.726 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 145.9 58.54 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.701 2.267 . . . . 0.0 112.33 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.466 ' CE2' ' HG ' ' A' ' 49' ' ' LEU . 3.4 t80 -51.98 -64.42 0.82 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.47 ' HG2' ' N ' ' A' ' 16' ' ' ASP . 25.5 ttm180 -33.19 -72.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.488 ' OD1' ' CE1' ' A' ' 20' ' ' HIS . 11.3 t0 -40.21 -56.35 1.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 -49.09 -39.5 28.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.451 ' CG1' HD13 ' A' ' 32' ' ' LEU . 64.7 t -67.05 -64.83 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.156 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.458 HG13 ' N ' ' A' ' 20' ' ' HIS . 26.9 pt -48.53 -43.76 13.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.771 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 7.7 m80 -55.13 -26.73 40.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.8 mt -89.35 -47.81 7.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.1 mt -60.26 -28.22 67.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.421 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -53.6 -64.97 0.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.07 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.9 mt -41.41 -45.7 3.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 ptmt -167.74 172.1 9.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.53 134.04 46.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.079 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -124.93 154.3 41.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -95.03 146.23 24.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.579 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.2 tptm -34.88 -55.05 0.98 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.573 0.701 . . . . 0.0 110.901 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.579 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.0 Cg_endo -69.71 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.727 2.284 . . . . 0.0 112.375 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -54.48 -63.46 1.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.469 ' CD1' HD23 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -38.44 -45.01 0.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 36' ' ' LEU . 7.9 mt -57.03 -57.34 13.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -35.81 -36.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -70.82 -46.38 62.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 33' ' ' LEU . 24.4 mt -75.91 -56.99 4.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.438 ' N ' ' CG2' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -38.85 -36.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -47.92 -59.12 3.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -76.73 -17.11 59.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.54 125.03 2.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' A' ' 37' ' ' GLN . 18.6 t -131.73 117.41 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 111.129 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -58.43 152.41 17.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -74.34 -49.46 22.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.5 ptpp? -56.24 -24.1 40.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -88.02 -34.3 18.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -44.2 -49.79 9.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -71.77 -37.23 70.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.5 m -64.9 -29.24 70.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.468 ' CD2' ' HG ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -47.29 -54.96 9.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.49 -33.08 8.11 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.42 -43.93 30.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.737 0.303 . . . . 0.0 111.135 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 45.2 mt -61.49 -42.35 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.505 ' HB3' ' CD1' ' A' ' 66' ' ' TYR . 13.3 mt -52.91 -34.89 57.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -86.71 -16.65 35.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -87.42 -25.05 23.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.4 m -123.98 -22.21 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.43 ' CA ' ' O ' ' A' ' 53' ' ' LEU . . . -124.53 177.59 5.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -134.28 127.08 31.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.522 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 4.7 tt -79.08 127.43 31.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.439 ' N ' HD23 ' A' ' 59' ' ' LEU . 12.5 t-20 -105.19 100.32 9.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 99.5 p -43.05 -24.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 60' ' ' ASN . 6.7 tttp -49.37 -67.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.16 11.54 17.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.0 mt 56.19 28.2 12.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 90.7 p -104.19 139.07 39.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.522 ' CE1' ' HB2' ' A' ' 59' ' ' LEU . 43.1 m-85 -83.66 123.52 29.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.8 p -105.67 124.46 49.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.569 HD11 ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -57.61 129.43 41.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.46 ' N ' HD22 ' A' ' 68' ' ' LEU . 29.3 mttm -51.71 -177.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.489 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 17.7 p-10 -97.98 -38.52 9.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.786 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.59 ' CE1' HG22 ' A' ' 72' ' ' VAL . 1.6 p90 -69.59 -44.81 70.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.59 HG22 ' CE1' ' A' ' 71' ' ' TYR . 49.8 t -49.77 -32.17 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.569 ' CE1' HD11 ' A' ' 68' ' ' LEU . 11.6 m-85 -47.47 -33.61 6.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -74.73 -31.18 61.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -70.81 -19.15 62.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.96 177.98 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -145.99 125.55 13.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.7 mtt85 -66.68 -17.86 65.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -80.51 -5.32 56.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.771 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 65.1 t-105 -52.72 130.27 46.51 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.589 0.709 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -26.7 27.17 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.655 2.236 . . . . 0.0 112.343 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.75 -22.92 35.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.51 ' CE2' HD13 ' A' ' 91' ' ' LEU . 17.6 m-85 -95.2 115.83 27.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.855 0.359 . . . . 0.0 110.944 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 73.6 m -74.91 -176.56 2.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -49.98 -23.41 2.0 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.452 ' O ' ' C ' ' A' ' 87' ' ' ASP . 4.5 mp -96.6 -64.37 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 86' ' ' ILE . 1.4 m-20 -34.44 -54.53 0.53 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.814 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.451 ' CZ ' ' HB3' ' A' ' 88' ' ' ARG . 14.5 mtp-105 -45.18 -51.98 9.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -72.42 -21.3 61.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 m -85.38 -16.17 40.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.51 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.01 -43.21 9.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.427 ' N ' HD23 ' A' ' 91' ' ' LEU . 19.0 pt-20 -48.99 -19.79 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.4 t -73.01 -61.81 1.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.4 t -46.31 -58.16 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.448 HD12 ' CD2' ' A' ' 91' ' ' LEU . 51.6 mt -50.71 -33.68 23.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.2 t -69.8 -42.06 74.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -69.81 -46.15 66.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.555 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 57.0 mmtt -69.97 -67.94 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 28.8 mt -65.64 93.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.889 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.873 0.368 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 47.6 mm-40 -51.45 -31.78 24.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 mmt-85 -72.37 151.21 91.94 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.623 0.725 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 150.72 68.57 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.678 2.252 . . . . 0.0 112.369 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.433 ' O ' ' C ' ' A' ' 15' ' ' ARG . 5.3 t80 -53.92 -63.87 1.01 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 14' ' ' TYR . 3.1 ttp-105 -34.19 -52.24 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.17 -55.5 30.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.449 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 44.8 mtp180 -55.35 -28.6 54.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.431 HG12 ' CD1' ' A' ' 32' ' ' LEU . 42.6 t -77.07 -59.66 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.462 HG13 ' N ' ' A' ' 20' ' ' HIS . 11.8 pt -57.96 -48.64 83.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.69 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 12.4 m80 -49.25 -28.45 4.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.447 HD13 ' CD2' ' A' ' 32' ' ' LEU . 60.0 mt -84.73 -49.28 8.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.8 mt -59.93 -30.57 69.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.469 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -46.61 -74.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.7 mt -39.24 -45.93 1.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -161.85 161.27 28.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.61 143.09 53.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -129.18 161.58 29.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.953 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -101.84 148.91 24.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.908 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.572 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -35.27 -55.28 1.07 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.615 0.722 . . . . 0.0 110.907 179.856 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.8 -50.66 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.647 2.231 . . . . 0.0 112.368 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 32' ' ' LEU . 9.4 tt0 -55.37 -64.21 0.92 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.447 ' CD2' HD13 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -37.45 -45.11 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 36' ' ' LEU . 11.5 mt -56.62 -60.15 3.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -33.65 -38.7 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.075 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 33' ' ' LEU . 6.1 mmm180 -71.46 -46.94 58.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 33' ' ' LEU . 14.2 mt -72.13 -55.9 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.46 ' NE2' ' HB ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -43.75 -35.72 1.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -48.92 -54.49 15.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.47 -27.25 58.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.72 115.84 1.63 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.46 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.46 ' HB ' ' NE2' ' A' ' 37' ' ' GLN . 22.7 t -122.54 146.12 28.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.83 0.347 . . . . 0.0 111.102 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -89.69 119.22 29.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -45.08 -29.74 0.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -71.66 -40.18 69.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.68 -28.44 61.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -46.72 -49.44 19.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -64.56 -40.75 96.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.6 p -64.81 -32.79 74.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.471 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -43.92 -55.64 4.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -50.03 -35.72 26.25 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.78 -42.0 64.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 55' ' ' GLN . 59.0 mt -64.15 -46.97 92.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.448 ' O ' ' CA ' ' A' ' 57' ' ' ALA . 15.5 mt -46.65 -34.44 5.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -87.0 -21.6 26.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' ILE . 14.8 mm-40 -84.47 -22.68 30.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.458 ' CG2' HG23 ' A' ' 19' ' ' ILE . 18.9 m -124.13 -22.76 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.448 ' CA ' ' O ' ' A' ' 53' ' ' LEU . . . -125.33 177.36 6.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.072 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -133.84 130.2 37.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.42 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 4.2 tt -79.4 130.37 35.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -106.1 98.8 8.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.7 t -39.62 -30.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -46.16 -66.86 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -116.03 15.79 16.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 40.0 mt 51.45 26.72 3.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.1 p -97.34 140.96 31.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.446 ' CD1' ' HB3' ' A' ' 53' ' ' LEU . 72.3 m-85 -88.62 117.17 27.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.9 p -100.65 125.75 47.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.568 HD11 ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -57.61 128.21 35.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.454 ' N ' HD23 ' A' ' 68' ' ' LEU . 28.9 mttm -49.57 -179.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.562 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -96.77 -40.69 8.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.572 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.5 p90 -66.6 -42.52 86.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.572 HG23 ' CE1' ' A' ' 71' ' ' TYR . 78.9 t -50.65 -34.61 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.083 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.568 ' CE1' HD11 ' A' ' 68' ' ' LEU . 18.8 m-85 -47.27 -31.4 3.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -73.73 -30.92 63.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -71.39 -31.04 66.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.438 HD22 ' CD2' ' A' ' 20' ' ' HIS . 77.7 mt -45.24 167.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -122.24 113.59 19.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.411 ' NH2' ' HA ' ' A' ' 92' ' ' GLU . 10.1 mmt180 -54.86 -25.21 27.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -98.16 30.73 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.69 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 73.1 t-105 -67.41 119.06 62.53 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.615 0.721 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -6.53 18.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.467 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -83.47 -15.24 71.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.521 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.552 ' CD2' ' HB3' ' A' ' 80' ' ' TRP . 23.2 m-85 -93.92 115.39 27.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 0.0 110.946 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.406 ' C ' ' N ' ' A' ' 86' ' ' ILE . 58.5 m -75.74 175.82 8.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -42.85 -24.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 87' ' ' ASP . 7.8 mm -92.64 -62.78 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.104 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.443 ' HB2' ' CA ' ' A' ' 83' ' ' TYR . 3.3 m-20 -36.04 -56.77 0.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -44.5 -60.17 2.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -61.07 -22.16 64.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.63 -23.05 29.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.489 ' CD1' ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.13 -35.39 13.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.411 ' HA ' ' NH2' ' A' ' 78' ' ' ARG . 13.9 pt-20 -55.64 -18.02 6.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t -88.11 -62.87 1.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.46 ' CG1' ' N ' ' A' ' 95' ' ' LEU . 3.0 p -46.3 -41.88 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.46 ' N ' ' CG1' ' A' ' 94' ' ' VAL . 84.4 mt -70.55 -24.32 62.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -79.79 -42.23 24.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -75.28 -34.95 61.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -73.6 -56.69 4.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.1 mt -77.87 94.27 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.915 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.0 m . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.849 0.357 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -68.84 -33.71 74.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.9 mmp_? -68.8 155.21 93.71 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.604 0.716 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 149.07 66.5 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.673 2.249 . . . . 0.0 112.336 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.463 ' O ' ' C ' ' A' ' 15' ' ' ARG . 6.3 t80 -48.35 -66.88 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 14' ' ' TYR . 12.6 ttp180 -33.56 -52.52 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.81 -54.2 31.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.467 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 32.6 mtp180 -58.57 -30.69 67.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.2 t -73.27 -49.36 38.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.462 HG21 ' CG2' ' A' ' 56' ' ' VAL . 17.6 pt -68.66 -33.64 60.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.733 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 9.0 m80 -65.79 -24.87 67.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.1 mt -89.5 -45.54 9.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 66.8 mt -63.4 -28.94 70.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.415 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -50.67 -68.38 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.4 mt -41.71 -50.82 4.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.9 pttt -157.94 170.14 22.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.48 135.36 44.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -125.85 147.5 49.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 29' ' ' LYS . 18.2 mttt -89.47 147.95 23.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.573 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.2 tptm -34.25 -55.3 0.84 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.504 0.669 . . . . 0.0 110.876 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.2 Cg_endo -69.78 -48.46 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -56.09 -63.57 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.455 ' CD1' HD23 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -38.53 -43.64 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.93 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 36' ' ' LEU . 8.7 mt -58.03 -59.04 5.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.448 ' O ' ' CD ' ' A' ' 38' ' ' LYS . . . -35.57 -32.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 33' ' ' LEU . 8.1 mmm180 -77.68 -45.34 25.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 33' ' ' LEU . 29.1 mt -74.96 -54.27 7.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.71 -38.92 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.448 ' CD ' ' O ' ' A' ' 34' ' ' ALA . 19.1 mtpt -47.1 -59.02 3.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -72.99 -19.26 61.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.93 122.44 2.63 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.5 t -125.76 145.8 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.824 0.345 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 -90.42 126.03 35.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -50.86 -51.96 46.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.32 -20.82 12.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -91.41 -33.91 15.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -49.84 -50.41 45.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -58.68 -36.5 74.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.3 m -73.68 -33.42 64.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.47 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -39.37 -55.45 1.74 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -49.08 -37.3 22.89 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.474 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.65 -41.05 63.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.332 . . . . 0.0 111.103 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.8 mt -62.58 -46.3 96.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.561 HD12 ' CD2' ' A' ' 66' ' ' TYR . 27.3 mt -48.3 -33.92 9.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -88.84 -17.91 28.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -86.7 -23.47 25.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.462 ' CG2' HG21 ' A' ' 19' ' ' ILE . 34.4 m -123.57 -24.28 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -126.62 177.42 6.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -126.09 133.45 51.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.466 HD23 ' N ' ' A' ' 60' ' ' ASN . 2.2 tt -78.85 132.2 36.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.466 ' N ' HD23 ' A' ' 59' ' ' LEU . 27.3 t30 -109.56 91.42 3.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 60' ' ' ASN . 2.0 m -38.51 -33.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -40.97 -68.38 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -116.84 12.68 14.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.9 mt 59.88 26.12 15.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.1 p -97.47 138.21 35.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.819 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.561 ' CD2' HD12 ' A' ' 53' ' ' LEU . 49.3 m-85 -89.56 127.54 35.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.2 p -109.22 124.4 50.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.098 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.563 HD11 ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -55.03 128.59 34.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.467 ' N ' HD22 ' A' ' 68' ' ' LEU . 30.9 mttm -51.14 -175.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.479 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 8.8 t70 -97.38 -41.3 8.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.583 ' CE1' HG21 ' A' ' 72' ' ' VAL . 1.8 p90 -67.41 -44.13 79.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.583 HG21 ' CE1' ' A' ' 71' ' ' TYR . 59.4 t -49.19 -32.83 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.147 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.563 ' CE1' HD11 ' A' ' 68' ' ' LEU . 14.6 m-85 -48.42 -32.77 8.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.27 -28.53 61.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -74.99 -23.64 58.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 61.2 mt -52.96 175.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -134.67 104.92 6.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.8 mtt180 -53.21 -16.43 1.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -98.31 19.52 14.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.733 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 74.6 t-105 -63.97 120.13 61.16 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.546 0.689 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 2.54 3.44 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.445 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -90.44 -10.84 63.25 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.54 ' CE2' HD11 ' A' ' 91' ' ' LEU . 25.0 m-85 -97.55 114.84 26.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.924 0.392 . . . . 0.0 110.886 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.5 m -67.74 179.09 1.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.855 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -49.48 -22.81 1.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.2 mp -95.64 -56.83 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.134 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.418 ' HB2' ' CA ' ' A' ' 83' ' ' TYR . 42.6 m-20 -41.76 -51.28 4.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.7 mtp-105 -48.0 -51.3 24.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -71.57 -20.64 61.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 m -84.45 -20.7 31.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.54 HD11 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.1 -37.46 12.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -54.64 -17.33 3.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 t -84.76 -63.95 1.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.523 ' CG1' ' N ' ' A' ' 95' ' ' LEU . 1.9 p -45.68 -44.88 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.523 ' N ' ' CG1' ' A' ' 94' ' ' VAL . 66.4 mt -62.36 -27.74 69.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t -80.05 -49.28 12.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -65.01 -35.79 82.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.441 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 53.4 mmtt -73.95 -55.22 6.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.9 mt -81.27 101.11 9.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.919 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.6 m120 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.916 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.846 0.355 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -82.64 -30.25 29.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -75.93 151.29 84.17 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.643 0.735 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 141.98 46.72 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.715 2.276 . . . . 0.0 112.315 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.467 ' O ' ' C ' ' A' ' 15' ' ' ARG . 4.4 t80 -43.83 -66.65 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.467 ' C ' ' O ' ' A' ' 14' ' ' TYR . 18.6 ttp180 -32.89 -54.36 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.73 -52.92 58.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.473 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 63.9 mtp180 -56.51 -30.43 63.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.415 ' CG1' HD13 ' A' ' 32' ' ' LEU . 70.4 t -76.11 -60.5 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.426 HG13 ' N ' ' A' ' 20' ' ' HIS . 28.3 pt -55.83 -40.39 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.587 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 12.9 m80 -58.86 -27.6 65.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.462 HD11 ' CD2' ' A' ' 32' ' ' LEU . 76.4 mt -89.31 -43.38 10.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 25' ' ' LYS . 35.5 mt -64.85 -32.71 74.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.439 ' CA ' HD11 ' A' ' 68' ' ' LEU . . . -48.67 -63.94 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.8 mt -42.0 -50.43 4.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 22' ' ' LEU . 32.2 pttt -161.56 169.85 20.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.12 133.83 47.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -124.23 153.31 41.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -95.53 147.25 23.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.574 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -34.33 -55.39 0.84 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.547 0.689 . . . . 0.0 110.883 179.886 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.4 Cg_endo -69.7 -50.37 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.688 2.259 . . . . 0.0 112.374 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 32' ' ' LEU . 10.5 tt0 -53.86 -64.66 0.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.462 ' CD2' HD11 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -36.54 -46.9 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 36' ' ' LEU . 14.3 mt -56.14 -57.38 12.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.962 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -34.82 -37.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 33' ' ' LEU . 22.2 mmt-85 -75.66 -44.51 42.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 33' ' ' LEU . 50.4 mt -74.05 -57.81 3.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.27 -35.92 0.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -45.73 -57.75 4.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.6 -17.7 57.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.15 132.62 3.67 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.446 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.2 t -138.59 118.18 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.8 0.333 . . . . 0.0 111.129 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -59.79 142.03 54.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -63.57 -38.61 91.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -66.96 -25.93 66.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -87.89 -27.07 22.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -50.48 -51.25 48.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -70.88 -38.48 73.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.6 m -63.62 -29.96 71.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.472 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -43.93 -45.11 7.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -56.85 -34.2 64.8 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.52 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.42 -45.14 66.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.75 0.309 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 52.2 mt -65.02 -42.49 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.457 ' HG ' ' CD2' ' A' ' 49' ' ' LEU . 14.1 mt -50.7 -33.12 21.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -88.98 -20.07 24.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -84.98 -27.52 26.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.8 m -118.2 -26.15 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 53' ' ' LEU . . . -124.57 177.01 6.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -129.66 133.04 46.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.462 ' HG ' ' CZ ' ' A' ' 66' ' ' TYR . 1.4 tt -79.76 134.77 36.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.408 ' N ' ' CD2' ' A' ' 59' ' ' LEU . 7.0 t-20 -109.91 103.01 11.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.7 t -46.29 -24.09 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -48.35 -69.52 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.87 25.64 7.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.454 ' N ' HD13 ' A' ' 64' ' ' LEU . 6.6 mp 51.76 34.47 13.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.4 p -99.93 129.68 46.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.462 ' CZ ' ' HG ' ' A' ' 59' ' ' LEU . 82.8 m-85 -87.23 118.48 26.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.95 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 35.8 p -101.37 125.09 47.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.482 HD13 ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -55.52 128.62 35.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.465 ' N ' HD21 ' A' ' 68' ' ' LEU . 40.2 mttt -51.72 -178.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.564 ' HA ' ' CE2' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -89.3 -68.57 0.77 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.6 ' CG ' ' N ' ' A' ' 72' ' ' VAL . 2.8 p90 -44.69 -51.19 9.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.6 ' N ' ' CG ' ' A' ' 71' ' ' TYR . 59.9 t -39.98 -31.36 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.14 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' A' ' 70' ' ' ASP . 18.2 m-85 -50.92 -43.52 59.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 75' ' ' GLU . 11.4 ptmt -62.4 -27.37 69.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 74' ' ' LYS . 23.0 mt-10 -71.54 -35.22 70.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.2 mt -46.54 169.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -136.54 114.19 11.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -57.29 -23.07 46.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -79.16 -15.84 57.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.587 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 72.2 t-105 -41.22 128.47 2.13 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.593 0.711 . . . . 0.0 110.932 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -36.39 10.83 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -44.83 -24.13 0.69 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.51 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.511 ' CE2' HD11 ' A' ' 91' ' ' LEU . 24.5 m-85 -85.83 120.96 27.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.948 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.5 m -84.43 176.9 8.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -44.08 -24.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 87' ' ' ASP . 7.6 mm -96.56 -61.9 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.101 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 86' ' ' ILE . 16.2 m-20 -34.54 -60.7 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -40.79 -59.15 1.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -64.27 -22.91 67.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 87' ' ' ASP . 1.3 t -83.6 -20.8 33.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.511 HD11 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.03 -46.32 7.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -43.31 -24.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.3 t -72.64 -60.92 2.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 71.3 t -43.49 -63.75 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 23.9 mt -47.58 -27.07 1.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.3 t -80.02 -40.05 28.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -70.88 -48.22 54.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -65.9 -69.67 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.1 mt -58.69 96.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.913 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.827 0.346 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -85.68 -22.36 27.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -78.83 150.07 74.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.611 0.72 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 14' ' ' TYR . 53.9 Cg_endo -69.8 138.41 37.63 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.713 2.275 . . . . 0.0 112.344 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.454 ' O ' ' C ' ' A' ' 15' ' ' ARG . 4.2 t80 -34.54 -63.17 0.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 14' ' ' TYR . 11.2 ttp180 -33.39 -62.65 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -45.99 -52.73 11.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.472 ' HA ' ' CZ2' ' A' ' 80' ' ' TRP . 48.1 mtp180 -59.81 -28.74 67.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.7 t -75.58 -55.3 11.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.431 HG13 ' N ' ' A' ' 20' ' ' HIS . 12.1 pt -63.46 -42.46 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.638 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 12.0 m80 -54.31 -29.2 46.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.823 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.459 HD12 ' CD2' ' A' ' 32' ' ' LEU . 77.5 mt -83.39 -48.37 10.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.435 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 38.7 mt -64.16 -27.51 69.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.459 ' CA ' HD11 ' A' ' 68' ' ' LEU . . . -50.85 -66.77 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.4 mt -41.15 -50.8 3.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 pttt -160.9 172.74 16.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.06 134.77 48.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.435 ' HB2' ' CD2' ' A' ' 22' ' ' LEU . 12.2 m-85 -125.54 154.26 42.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -96.47 148.95 22.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.904 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.587 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.0 tptm -35.95 -54.53 1.39 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 0.0 110.959 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.2 Cg_endo -69.83 -50.57 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.723 2.282 . . . . 0.0 112.282 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 32' ' ' LEU . 8.0 tt0 -55.3 -63.74 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.459 ' CD2' HD12 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -36.93 -43.9 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.946 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 36' ' ' LEU . 10.0 mt -59.88 -58.0 10.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -34.13 -35.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 33' ' ' LEU . 49.3 mmt-85 -71.45 -47.57 54.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 33' ' ' LEU . 14.6 mt -75.31 -53.93 7.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -42.49 -26.66 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -60.43 -55.78 29.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -79.29 -13.87 59.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.837 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.8 130.62 3.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 37.2 t -139.39 115.81 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.795 0.331 . . . . 0.0 111.118 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -61.3 153.78 25.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -74.98 -43.15 55.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -26.66 64.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 48' ' ' SER . 1.2 m-20 -86.68 -38.11 17.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -38.64 -41.0 0.65 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -78.88 -37.14 40.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 45' ' ' ASP . 50.1 m -65.54 -22.85 66.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.805 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.463 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -54.36 -59.38 4.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.87 -31.77 4.24 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.448 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.81 -43.05 31.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.744 0.307 . . . . 0.0 111.094 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.0 mt -63.27 -42.32 95.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.46 ' HB3' ' CD1' ' A' ' 66' ' ' TYR . 14.7 mt -50.65 -33.29 21.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -88.8 -21.84 23.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -82.65 -24.59 33.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.8 m -123.39 -25.37 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.447 ' CA ' ' O ' ' A' ' 53' ' ' LEU . . . -123.12 177.28 5.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -130.92 131.03 44.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.465 HD21 ' N ' ' A' ' 60' ' ' ASN . 2.4 tt -78.55 129.94 35.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.497 ' O ' ' N ' ' A' ' 62' ' ' LYS . 2.1 t-20 -107.64 86.04 2.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 60' ' ' ASN . 10.9 t -34.7 -32.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 60' ' ' ASN . 1.2 tppp? -43.2 -67.22 0.29 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -116.09 16.81 15.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.2 mt 52.3 32.3 10.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.5 p -105.03 133.04 50.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.46 ' CD1' ' HB3' ' A' ' 53' ' ' LEU . 48.4 m-85 -84.58 121.97 28.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.933 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.8 p -103.94 124.69 49.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.471 HD23 ' CG1' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -59.1 126.93 29.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -50.08 179.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.834 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.559 ' HA ' ' CE2' ' A' ' 73' ' ' PHE . 18.0 t70 -91.27 -60.56 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.557 ' CG ' ' N ' ' A' ' 72' ' ' VAL . 2.3 p90 -48.64 -48.6 39.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.557 ' N ' ' CG ' ' A' ' 71' ' ' TYR . 54.5 t -42.77 -37.54 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.559 ' CE2' ' HA ' ' A' ' 70' ' ' ASP . 19.3 m-85 -44.91 -39.92 5.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -66.4 -31.05 71.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 72' ' ' VAL . 16.1 mt-10 -72.37 -28.33 62.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.4 mt -42.86 166.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -126.65 101.86 6.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 92' ' ' GLU . 7.0 mmm180 -50.06 -22.27 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -95.34 25.71 4.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.638 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 70.4 t-105 -65.1 119.68 60.78 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 121.575 0.702 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 3.4 2.81 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.315 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.433 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -98.02 5.65 61.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.465 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.572 ' CD2' ' HB3' ' A' ' 80' ' ' TRP . 21.5 m-85 -108.58 119.6 39.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.909 0.385 . . . . 0.0 110.939 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.406 ' N ' ' HB2' ' A' ' 87' ' ' ASP . 3.5 m -76.99 -176.33 3.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -51.71 -29.83 19.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.409 ' N ' ' CD1' ' A' ' 86' ' ' ILE . 3.4 mp -92.24 -56.9 4.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 90' ' ' SER . 19.4 m-20 -36.64 -61.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -39.83 -58.29 1.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -65.76 -21.24 66.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 87' ' ' ASP . 1.2 t -81.66 -20.8 38.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.499 HD12 ' CZ ' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.14 -45.04 8.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.419 ' HB3' ' NH1' ' A' ' 78' ' ' ARG . 9.2 pt-20 -44.65 -22.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.4 ' N ' ' C ' ' A' ' 91' ' ' LEU . 36.8 t -74.09 -64.71 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.862 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 73.5 t -38.66 -59.15 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.3 mt -50.02 -39.23 40.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 42.5 t -65.65 -35.07 79.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 -75.15 -49.75 18.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.53 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 68.0 mmtt -69.3 -71.9 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.93 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 100' ' ' ASN . 17.8 mt -56.68 94.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 99' ' ' LEU . 3.2 t-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.806 0.336 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -55.67 -29.92 60.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -70.63 152.89 95.22 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.598 0.713 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 133.99 26.91 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.643 2.229 . . . . 0.0 112.336 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.461 ' O ' ' C ' ' A' ' 15' ' ' ARG . 5.9 t80 -42.17 -63.55 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 14' ' ' TYR . 17.8 ttp180 -33.37 -54.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.95 -57.92 9.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.816 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.45 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 38.3 mtp180 -49.13 -32.02 9.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.415 ' CG1' HD13 ' A' ' 32' ' ' LEU . 89.4 t -74.38 -65.68 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.461 HG22 ' CG2' ' A' ' 56' ' ' VAL . 21.8 pt -49.96 -42.58 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.652 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 14.5 m80 -54.84 -27.01 39.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.0 mt -89.04 -42.73 11.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.5 mt -64.37 -32.09 73.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.465 ' CA ' HD11 ' A' ' 68' ' ' LEU . . . -49.93 -69.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.158 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.3 mt -38.54 -45.01 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.976 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.6 pttt -167.23 166.08 15.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.23 137.15 52.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.091 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -125.57 155.47 40.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -95.31 155.86 16.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.569 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -41.94 -55.59 5.95 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.584 0.707 . . . . 0.0 110.871 179.865 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.77 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.72 2.28 . . . . 0.0 112.343 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 32' ' ' LEU . 20.2 tt0 -53.91 -65.34 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 31' ' ' GLU . 0.8 OUTLIER -35.07 -45.81 0.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' ARG . 14.6 mt -59.05 -56.57 20.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.415 ' O ' ' CD ' ' A' ' 38' ' ' LYS . . . -37.37 -29.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 33' ' ' LEU . 18.6 mmt180 -79.24 -48.28 14.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.45 ' CD2' ' HB3' ' A' ' 17' ' ' ARG . 15.1 mt -73.37 -54.18 8.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.41 ' NE2' ' HB ' ' A' ' 41' ' ' VAL . 0.3 OUTLIER -42.9 -34.69 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.415 ' CD ' ' O ' ' A' ' 34' ' ' ALA . 20.0 mtpt -50.28 -58.66 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -75.42 -14.06 60.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.95 131.42 3.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.41 ' HB ' ' NE2' ' A' ' 37' ' ' GLN . 45.0 t -138.44 119.72 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 0.0 111.122 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -66.38 156.7 33.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -70.74 -45.44 64.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -29.8 61.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -83.19 -37.21 23.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -46.1 -41.98 13.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -73.7 -41.54 62.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.8 m -63.46 -31.48 72.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.464 HD11 ' CE ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -45.33 -66.86 0.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.448 ' N ' ' NZ ' ' A' ' 29' ' ' LYS . . . -43.92 -32.44 2.29 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.42 -38.35 34.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.806 0.336 . . . . 0.0 111.144 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 76.1 mt -67.68 -42.55 86.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.443 ' CD2' HD12 ' A' ' 32' ' ' LEU . 13.6 mt -50.3 -35.92 29.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -87.42 -18.04 30.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.413 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 29.0 mm-40 -87.12 -23.76 24.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.461 ' CG2' HG22 ' A' ' 19' ' ' ILE . 23.6 m -122.3 -23.94 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -125.28 176.71 6.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -127.82 128.34 45.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.515 ' HG ' ' CZ ' ' A' ' 66' ' ' TYR . 1.3 tt -78.69 133.83 37.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 64' ' ' LEU . 28.0 t30 -112.22 102.06 10.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.1 t -45.19 -36.14 3.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.4 tptp -41.79 -68.45 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -114.54 21.04 14.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 60' ' ' ASN . 18.4 mt 45.29 31.76 0.88 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.6 p -100.33 146.1 27.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.515 ' CZ ' ' HG ' ' A' ' 59' ' ' LEU . 68.8 m-85 -98.17 119.4 36.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.0 p -102.98 125.3 49.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.163 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.554 HD13 ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -56.03 129.41 39.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.468 ' N ' HD22 ' A' ' 68' ' ' LEU . 28.9 mttm -51.29 -176.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.422 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 5.3 p-10 -97.35 -44.71 6.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.575 ' CE1' HG22 ' A' ' 72' ' ' VAL . 1.8 p90 -64.89 -42.16 95.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.969 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.575 HG22 ' CE1' ' A' ' 71' ' ' TYR . 64.6 t -50.13 -34.33 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.554 ' CE1' HD13 ' A' ' 68' ' ' LEU . 16.5 m-85 -48.7 -30.7 5.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.404 ' NZ ' ' HB3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -74.48 -29.09 61.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -72.44 -32.45 66.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 73.3 mt -44.46 163.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -121.19 104.25 9.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.403 ' NH1' ' HB3' ' A' ' 92' ' ' GLU . 6.9 mmm180 -48.49 -28.77 3.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -90.88 27.54 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.652 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 74.0 t-105 -67.34 121.61 79.47 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.533 0.683 . . . . 0.0 110.939 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -4.56 14.29 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.647 2.231 . . . . 0.0 112.363 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.456 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -86.24 -1.15 86.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.54 ' CD2' ' HB3' ' A' ' 80' ' ' TRP . 23.2 m-85 -108.25 114.13 27.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.91 0.386 . . . . 0.0 110.927 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.4 m -72.92 177.22 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.897 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -44.99 -23.32 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.468 ' N ' ' CD1' ' A' ' 86' ' ' ILE . 2.6 mp -94.88 -64.26 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 86' ' ' ILE . 1.4 m-20 -33.9 -55.45 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.8 mtp85 -44.42 -56.07 4.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -67.51 -21.16 65.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 m -84.38 -21.84 30.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.797 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.519 ' CD1' ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.06 -37.24 12.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.403 ' HB3' ' NH1' ' A' ' 78' ' ' ARG . 7.1 pt-20 -53.7 -18.35 3.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 96' ' ' SER . 8.9 t -78.48 -68.7 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 98.4 t -36.69 -60.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.129 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 52.4 mt -51.93 -35.07 44.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 93' ' ' SER . 12.0 t -72.34 -26.59 61.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 97' ' ' ARG . 8.1 mtp-105 -90.98 -21.45 21.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -93.23 -60.94 1.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.21 93.75 0.64 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.951 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.5 p . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.837 0.351 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.417 ' NE2' ' HA ' ' A' ' 11' ' ' GLN . 6.3 mm-40 -70.78 -27.05 63.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -73.16 153.61 90.53 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.612 0.72 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 14' ' ' TYR . 53.4 Cg_endo -69.83 128.3 15.76 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.3 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.504 ' CE2' ' HB3' ' A' ' 45' ' ' ASP . 4.1 t80 -34.36 -65.1 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 14' ' ' TYR . 22.0 ttt-85 -33.7 -58.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.445 ' OD1' ' NH1' ' A' ' 15' ' ' ARG . 0.7 OUTLIER -49.14 -54.05 18.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.467 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 44.4 mtp180 -54.91 -32.43 61.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.4 t -72.18 -62.9 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.445 HG13 ' N ' ' A' ' 20' ' ' HIS . 25.7 pt -54.95 -42.1 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.187 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.767 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 9.5 m80 -56.21 -23.31 34.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.3 mt -90.36 -51.97 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 25' ' ' LYS . 13.1 mt -59.3 -30.45 68.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.461 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -48.81 -64.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.9 mt -45.75 -45.41 14.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.406 ' HE2' ' CZ ' ' A' ' 27' ' ' TYR . 25.1 pttt -164.82 168.44 17.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.48 139.75 51.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.406 ' CZ ' ' HE2' ' A' ' 25' ' ' LYS . 14.7 m-85 -129.83 156.69 43.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -97.46 149.53 22.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.596 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.3 tptm -36.67 -53.99 1.73 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.544 0.688 . . . . 0.0 110.92 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.2 Cg_endo -69.77 -49.89 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.384 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -56.93 -64.21 0.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -38.89 -43.75 0.98 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 36' ' ' LEU . 9.4 mt -55.96 -63.06 1.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -32.15 -52.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.49 ' HA ' ' CE ' ' A' ' 38' ' ' LYS . 12.9 mmt180 -51.5 -46.34 63.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 33' ' ' LEU . 9.5 mt -76.93 -54.32 6.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.464 ' N ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -47.43 -26.73 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.49 ' CE ' ' HA ' ' A' ' 35' ' ' ARG . 29.7 mtmt -51.98 -45.91 64.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.01 -27.4 22.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.06 109.49 1.21 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.449 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 37' ' ' GLN . 12.4 t -108.42 137.63 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.323 . . . . 0.0 111.137 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -76.4 153.47 35.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -63.79 -51.88 62.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.8 pttt -52.07 -29.52 21.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.504 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 13.1 m-20 -79.45 -35.81 39.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.4 mtpt -57.5 -41.25 80.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -82.97 -29.9 28.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.4 m -89.35 7.8 33.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.46 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 1.0 OUTLIER -74.57 -68.82 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 49' ' ' LEU . . . -35.87 -31.85 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . -72.6 -48.36 40.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 0.0 111.117 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 49' ' ' LEU . 81.9 mt -59.32 -45.14 93.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.469 HD13 ' CE2' ' A' ' 66' ' ' TYR . 37.3 mt -51.29 -36.9 44.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -86.33 -12.86 48.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.412 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 6.5 mm100 -92.58 -22.72 19.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.7 m -124.95 -21.82 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -126.19 177.35 6.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -129.83 128.31 42.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.429 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 2.1 tt -79.34 139.19 37.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.418 ' N ' ' CD2' ' A' ' 59' ' ' LEU . 36.2 t30 -118.37 96.57 5.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m -40.47 -36.6 0.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.44 -65.99 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -117.57 23.08 11.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.0 mt 41.76 37.19 0.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.9 p -106.83 141.2 38.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.469 ' CE2' HD13 ' A' ' 53' ' ' LEU . 48.1 m-85 -93.17 122.76 35.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.0 p -105.53 124.76 50.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.125 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.566 HD11 ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -57.75 127.59 32.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.47 ' N ' HD23 ' A' ' 68' ' ' LEU . 31.5 mttm -49.7 -179.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.557 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 14.2 p-10 -97.49 -39.13 9.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.575 ' CE1' HG21 ' A' ' 72' ' ' VAL . 1.5 p90 -67.63 -38.47 83.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.575 HG21 ' CE1' ' A' ' 71' ' ' TYR . 70.5 t -56.85 -30.36 32.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.566 ' CE1' HD11 ' A' ' 68' ' ' LEU . 14.6 m-85 -50.7 -29.21 10.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -77.72 -32.2 52.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -70.87 -29.51 65.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.7 mt -47.17 171.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -138.61 114.25 9.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 85.7 mtm-85 -58.87 -25.99 63.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -76.06 -0.18 20.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.767 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 70.7 t-105 -54.4 121.86 34.54 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.544 0.688 . . . . 0.0 110.913 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -25.01 28.95 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -58.81 -17.99 37.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.445 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.557 ' CE2' HD12 ' A' ' 91' ' ' LEU . 25.4 m-85 -91.14 116.89 29.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.912 0.387 . . . . 0.0 110.881 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.464 ' N ' ' HB2' ' A' ' 87' ' ' ASP . 41.1 m -71.61 -176.14 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -55.46 -24.96 33.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.494 ' N ' ' CD1' ' A' ' 86' ' ' ILE . 1.9 mp -96.29 -43.25 12.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.464 ' HB2' ' N ' ' A' ' 84' ' ' SER . 4.8 m-20 -51.94 -56.57 13.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -44.04 -49.96 8.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -73.06 -23.18 60.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 t -80.67 -19.0 46.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.557 HD12 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.07 -49.44 6.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.918 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -41.13 -29.2 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.6 t -65.89 -67.62 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 97' ' ' ARG . 88.6 t -39.17 -64.36 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 57.2 mt -40.53 -40.17 1.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.9 t -68.98 -40.59 78.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 94' ' ' VAL . 9.4 mmm180 -65.58 -35.96 82.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -85.67 -66.32 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.0 mt -65.76 92.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.409 ' C ' ' OD1' ' A' ' 100' ' ' ASN . 30.0 t-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 t . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.829 0.347 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -42.13 -35.39 0.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.947 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -69.4 147.34 96.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.59 0.71 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 146.51 60.53 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.249 . . . . 0.0 112.339 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.429 ' O ' ' C ' ' A' ' 15' ' ' ARG . 3.2 t80 -42.75 -64.09 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 14' ' ' TYR . 12.0 ttp180 -35.77 -63.75 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -43.41 -56.5 3.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.427 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 26.3 mtp180 -53.38 -33.56 54.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.434 ' CG1' HD11 ' A' ' 32' ' ' LEU . 69.7 t -75.0 -63.94 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.405 HG13 ' CD2' ' A' ' 76' ' ' LEU . 8.7 pt -50.23 -39.38 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.565 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 12.6 m80 -61.86 -24.93 67.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 76.1 mt -89.63 -44.03 10.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.5 mt -65.44 -30.25 71.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.972 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.464 ' CA ' HD13 ' A' ' 68' ' ' LEU . . . -49.73 -61.18 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.066 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.486 ' CD1' ' OD2' ' A' ' 87' ' ' ASP . 15.3 mt -46.61 -47.43 19.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 pttt -163.62 169.88 17.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.1 138.49 49.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -127.9 155.96 43.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.82 149.55 22.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.595 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.2 tptm -37.52 -54.08 2.24 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.557 0.694 . . . . 0.0 110.904 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.4 Cg_endo -69.78 -51.1 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.656 2.238 . . . . 0.0 112.366 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 32' ' ' LEU . 36.4 tt0 -55.39 -64.13 0.94 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.434 HD11 ' CG1' ' A' ' 18' ' ' VAL . 1.0 OUTLIER -36.27 -44.18 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.94 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 35' ' ' ARG . 16.1 mt -60.45 -56.34 22.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -37.73 -27.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 33' ' ' LEU . 21.8 mmt180 -82.73 -48.61 10.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 38' ' ' LYS . 12.2 mt -73.23 -53.53 10.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.432 ' NE2' ' HB ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -38.57 -27.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 36' ' ' LEU . 18.8 mtpp -65.18 -52.97 51.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -68.96 -16.13 63.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.91 102.13 2.23 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.432 ' HB ' ' NE2' ' A' ' 37' ' ' GLN . 15.5 t -106.75 149.52 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.36 . . . . 0.0 111.099 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -96.94 130.35 44.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -52.24 -39.24 60.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.8 pttt -64.02 -31.32 72.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -84.01 -33.23 24.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -43.63 -40.36 4.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -77.13 -40.25 46.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.1 p -64.85 -28.74 69.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.46 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -45.03 -60.67 1.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -43.96 -40.91 5.77 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.505 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.66 -46.16 76.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.767 0.318 . . . . 0.0 111.089 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 55' ' ' GLN . 70.5 mt -60.56 -49.32 84.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.179 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.506 ' HB3' ' CD1' ' A' ' 66' ' ' TYR . 33.6 mt -43.73 -33.08 1.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -88.87 -23.69 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 52' ' ' ILE . 23.5 mt-30 -79.69 -23.73 42.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 36.0 m -124.37 -23.04 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 53' ' ' LEU . . . -125.11 177.38 6.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -129.65 130.06 45.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tt -78.61 137.45 37.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -117.53 95.52 4.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.5 m -39.37 -35.18 0.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -41.06 -68.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -117.33 27.46 9.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 21.9 mt 39.47 40.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 86.8 p -110.21 145.25 37.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.819 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.506 ' CD1' ' HB3' ' A' ' 53' ' ' LEU . 48.4 m-85 -95.86 122.68 38.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.2 p -104.68 124.65 49.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.562 HD12 ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -58.07 128.42 37.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.473 ' N ' HD23 ' A' ' 68' ' ' LEU . 30.3 mttm -51.07 -178.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.531 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 3.6 t0 -97.25 -39.42 9.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.561 ' CE1' HG21 ' A' ' 72' ' ' VAL . 1.5 p90 -67.3 -42.15 84.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.883 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.561 HG21 ' CE1' ' A' ' 71' ' ' TYR . 66.0 t -51.87 -32.98 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.562 ' CE1' HD12 ' A' ' 68' ' ' LEU . 15.6 m-85 -48.42 -32.86 8.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -73.88 -30.6 62.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -73.99 -25.16 59.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.405 ' CD2' HG13 ' A' ' 19' ' ' ILE . 69.8 mt -50.23 178.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -135.99 120.42 18.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.6 mtm180 -63.57 -28.13 69.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -91.15 27.45 1.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.565 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 74.2 t-105 -70.39 120.88 81.31 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.552 0.691 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -1.35 8.32 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.298 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.464 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -87.93 -8.31 72.85 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.484 ' CE2' ' CD1' ' A' ' 91' ' ' LEU . 25.0 m-85 -101.61 114.86 29.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.0 110.934 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.5 m -67.58 177.26 2.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -47.8 -28.23 2.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.8 mp -90.1 -56.78 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.168 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.486 ' OD2' ' CD1' ' A' ' 24' ' ' LEU . 4.4 m-20 -39.4 -56.67 1.54 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.828 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -43.13 -49.75 6.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -76.49 -17.06 59.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 87' ' ' ASP . 1.8 t -87.99 -18.93 27.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.484 ' CD1' ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.01 -32.77 15.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.465 ' N ' HD21 ' A' ' 91' ' ' LEU . 15.7 pt-20 -58.04 -13.26 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.3 t -82.62 -61.74 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 97' ' ' ARG . 69.7 t -43.34 -61.88 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.149 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.5 mt -42.8 -44.27 4.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.7 t -65.62 -33.34 75.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 94' ' ' VAL . 11.2 mmm180 -72.83 -37.36 67.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.555 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 51.9 mmtt -86.86 -67.42 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 34.2 mt -61.49 95.38 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.932 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 87.6 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.869 0.366 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -64.02 -33.14 75.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.443 ' HG3' ' CZ3' ' A' ' 80' ' ' TRP . 39.8 mmt180 -67.96 153.19 95.66 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.628 0.727 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 136.34 32.76 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.688 2.259 . . . . 0.0 112.377 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.475 ' CD2' ' HB3' ' A' ' 45' ' ' ASP . 5.6 t80 -40.24 -64.2 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.971 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 14' ' ' TYR . 18.2 ttm180 -33.73 -54.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.76 -54.13 48.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -53.44 -28.72 31.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.3 t -77.81 -63.24 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.471 ' CG1' ' N ' ' A' ' 20' ' ' HIS . 9.5 pt -53.88 -45.2 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.564 ' CD2' ' CG ' ' A' ' 80' ' ' TRP . 14.0 m80 -53.6 -29.51 38.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.6 mt -82.72 -49.52 9.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.4 mt -60.42 -28.88 68.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.409 ' CA ' HD11 ' A' ' 68' ' ' LEU . . . -50.97 -66.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.3 mt -41.86 -51.49 4.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.6 pttt -159.94 170.15 21.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.89 134.41 48.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.056 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -125.32 153.08 43.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 29' ' ' LYS . 25.0 mttt -96.67 148.59 22.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.579 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.2 tptm -34.73 -54.99 0.95 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.6 0.714 . . . . 0.0 110.876 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.579 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.8 Cg_endo -69.7 -50.76 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.329 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 32' ' ' LEU . 10.5 tt0 -55.22 -63.96 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' GLU . 0.9 OUTLIER -37.74 -44.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.928 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 36' ' ' LEU . 13.6 mt -58.8 -57.71 11.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -32.8 -39.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 33' ' ' LEU . 16.3 mmm180 -70.97 -49.15 48.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 33' ' ' LEU . 8.6 mt -67.85 -54.59 17.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.429 ' NE2' ' HB ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -50.04 -38.47 37.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.957 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -49.8 -48.5 50.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -84.6 -19.53 32.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.41 119.21 2.22 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.481 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.429 ' HB ' ' NE2' ' A' ' 37' ' ' GLN . 18.4 t -127.63 132.24 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.338 . . . . 0.0 111.137 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -86.69 131.85 34.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -43.37 -53.33 5.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.6 pttt -46.99 -35.44 6.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.475 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 15.8 m-20 -84.09 -42.3 16.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.824 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -26.56 68.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -80.27 -35.08 36.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 m -93.69 12.27 26.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.468 HD23 ' CD1' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -66.1 -66.33 0.56 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 49' ' ' LEU . . . -35.95 -35.13 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.486 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.42 -50.77 28.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.751 0.31 . . . . 0.0 111.082 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.9 mt -55.64 -44.52 77.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.163 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.512 HD13 ' CE2' ' A' ' 66' ' ' TYR . 15.0 mt -51.69 -37.21 49.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.52 -13.22 49.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -93.48 -22.61 18.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.471 ' CG2' HG22 ' A' ' 19' ' ' ILE . 19.9 m -122.51 -26.96 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -124.2 177.34 5.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -128.41 130.97 48.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.461 HD23 ' N ' ' A' ' 60' ' ' ASN . 2.9 tt -78.7 129.19 34.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 62' ' ' LYS . 3.4 t-20 -106.26 85.6 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 60' ' ' ASN . 35.1 t -34.25 -34.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 60' ' ' ASN . 32.3 tptt -43.27 -64.34 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -116.22 17.33 15.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.812 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.1 mt 48.8 35.0 5.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.8 p -108.47 137.49 46.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.512 ' CE2' HD13 ' A' ' 53' ' ' LEU . 46.7 m-85 -87.96 123.1 32.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.911 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 47.7 p -106.52 124.49 49.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.577 HD13 ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -55.65 126.51 25.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.901 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -49.82 -179.05 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.486 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 21.6 m-20 -94.88 -42.94 8.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.592 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.7 p90 -64.14 -45.15 89.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.592 HG23 ' CE1' ' A' ' 71' ' ' TYR . 60.0 t -48.27 -38.31 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.577 ' CE1' HD13 ' A' ' 68' ' ' LEU . 14.5 m-85 -43.58 -37.59 2.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.436 ' NZ ' ' HB2' ' A' ' 71' ' ' TYR . 5.3 ptpp? -69.78 -32.88 71.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 72' ' ' VAL . 30.4 mt-10 -69.35 -30.34 68.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 93.2 mt -41.31 162.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 80' ' ' TRP . 27.2 mt-30 -119.01 100.26 7.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.933 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.5 mtm-85 -45.82 -22.99 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -96.3 27.22 3.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.566 ' HB3' ' CD2' ' A' ' 83' ' ' TYR . 69.7 t-105 -69.12 115.5 32.51 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.568 0.699 . . . . 0.0 110.91 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -1.24 8.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.732 2.288 . . . . 0.0 112.328 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.47 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -92.72 17.16 58.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.566 ' CD2' ' HB3' ' A' ' 80' ' ' TRP . 22.0 m-85 -119.91 114.04 21.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.865 0.364 . . . . 0.0 110.939 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 70.0 m -65.75 167.89 8.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -42.88 -25.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 10.5 mm -92.81 -58.18 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -39.85 -54.52 2.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -45.42 -55.09 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -67.94 -21.94 65.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.5 m -82.94 -21.46 34.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.506 HD11 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.02 -42.63 9.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.948 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.457 ' N ' HD21 ' A' ' 91' ' ' LEU . 7.1 pt-20 -47.03 -22.76 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 96' ' ' SER . 35.9 t -80.61 -60.15 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.803 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 84.4 t -39.92 -47.44 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.164 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 30.8 mt -61.11 -35.56 77.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 93' ' ' SER . 12.3 t -71.57 -39.73 70.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.2 mtp85 -68.59 -50.43 51.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.401 ' HG3' ' CD2' ' A' ' 73' ' ' PHE . 61.4 mmtt -64.01 -67.85 0.4 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.1 mt -60.02 94.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.5 p30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.88 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.82 0.343 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -54.02 -32.61 54.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 46.1 mmt-85 -71.74 152.09 93.39 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.574 0.702 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 142.11 47.11 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.729 2.286 . . . . 0.0 112.327 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.459 ' O ' ' C ' ' A' ' 15' ' ' ARG . 5.9 t80 -47.53 -64.75 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 14' ' ' TYR . 14.0 ttm180 -33.58 -50.01 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -58.48 -59.44 5.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -49.59 -28.86 6.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.2 t -76.31 -62.13 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.463 HG13 ' N ' ' A' ' 20' ' ' HIS . 19.9 pt -53.96 -45.67 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.559 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 23.4 m80 -52.88 -28.55 23.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.2 mt -86.05 -42.85 13.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.948 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.444 HD13 ' CB ' ' A' ' 57' ' ' ALA . 62.1 mt -64.87 -32.15 73.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.976 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.469 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -51.35 -69.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.099 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 23' ' ' ALA . 18.9 mt -37.7 -43.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.8 pttt -170.1 167.71 8.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.34 135.82 50.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -124.81 153.13 42.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 29' ' ' LYS . 1.1 mptt -95.38 150.3 20.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.578 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -36.96 -54.97 1.7 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.625 0.726 . . . . 0.0 110.897 179.892 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.5 Cg_endo -69.84 -50.57 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.693 2.262 . . . . 0.0 112.326 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 32' ' ' LEU . 19.9 tt0 -53.74 -65.01 0.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.433 ' CD1' HD21 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -36.9 -47.3 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 36' ' ' LEU . 12.6 mt -55.03 -57.61 11.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -34.58 -39.35 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.081 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -71.23 -44.94 64.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 33' ' ' LEU . 11.2 mt -73.52 -57.31 4.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.49 -30.14 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.8 mttt -56.21 -55.31 34.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -75.35 -26.47 58.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.61 119.94 2.09 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.1 t -122.78 139.2 50.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.828 0.347 . . . . 0.0 111.111 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -87.63 125.09 34.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -46.57 -43.22 17.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -61.3 -28.53 69.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -84.09 -30.25 26.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.817 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.7 mtmt -50.76 -33.23 22.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -76.77 -35.73 57.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 99.2 p -73.05 -31.88 64.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.515 ' CD2' ' C ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -44.96 -58.69 2.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.469 ' N ' ' HZ3' ' A' ' 29' ' ' LYS . . . -51.12 -37.89 38.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.47 -41.78 68.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.747 0.308 . . . . 0.0 111.086 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' GLN . 49.5 mt -63.56 -47.55 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.473 ' HB3' ' CD1' ' A' ' 66' ' ' TYR . 18.8 mt -45.32 -37.59 4.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -85.81 -19.41 30.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 52' ' ' ILE . 15.2 mm100 -84.91 -24.03 28.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.5 m -123.36 -23.37 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -123.36 177.1 5.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -131.54 127.12 36.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.517 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 2.6 tt -81.39 132.75 35.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 61' ' ' SER . 4.8 t-20 -109.3 94.27 4.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 60' ' ' ASN . 58.4 m -35.6 -35.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 60' ' ' ASN . 26.0 tttt -41.67 -68.65 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -111.99 8.4 20.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 26.9 mt 57.44 27.56 14.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 96.6 p -97.45 139.75 32.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.517 ' CE1' ' HB2' ' A' ' 59' ' ' LEU . 67.7 m-85 -91.78 117.04 29.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 42.2 p -102.73 125.02 49.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.14 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.573 HD11 ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -54.77 130.53 41.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.457 ' N ' HD21 ' A' ' 68' ' ' LEU . 28.2 mttm -52.56 -175.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.464 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 63.9 m-20 -97.36 -44.45 6.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.573 ' CE1' HG21 ' A' ' 72' ' ' VAL . 1.9 p90 -64.9 -43.4 93.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.573 HG21 ' CE1' ' A' ' 71' ' ' TYR . 58.0 t -49.08 -33.48 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.122 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CE1' HD11 ' A' ' 68' ' ' LEU . 16.1 m-85 -49.4 -31.59 9.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -74.9 -28.03 60.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -74.55 -28.58 61.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 76.2 mt -46.65 173.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.952 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' A' ' 80' ' ' TRP . 49.8 mt-30 -129.9 103.58 6.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -48.04 -25.53 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -91.47 25.63 2.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.559 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 70.5 t-105 -67.77 117.57 49.37 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.54 0.686 . . . . 0.0 110.886 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -11.64 31.24 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.96 -4.42 82.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.516 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.533 ' CD2' ' HB3' ' A' ' 80' ' ' TRP . 23.9 m-85 -103.09 114.04 28.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 110.97 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.9 m -71.74 -177.09 1.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -50.92 -22.82 2.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.429 ' O ' ' C ' ' A' ' 87' ' ' ASP . 2.9 mp -95.23 -64.13 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 86' ' ' ILE . 9.0 m-20 -34.57 -55.84 0.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.3 mtp-105 -44.68 -57.16 3.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -65.52 -21.15 66.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 m -83.55 -22.95 32.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.52 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.01 -45.63 8.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.925 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.401 ' N ' HD22 ' A' ' 91' ' ' LEU . 17.8 pt-20 -41.95 -34.75 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.83 -52.66 16.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.8 t -46.07 -57.45 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.093 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 31.4 mt -56.24 -31.34 63.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 44.0 t -72.49 -42.58 64.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -72.76 -28.4 62.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.808 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -85.75 -62.69 1.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.6 mt -71.04 96.51 1.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.8 m120 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.893 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.8 t . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.838 0.352 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -45.67 -36.64 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.8 mmt-85 -68.2 152.34 96.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.716 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.401 ' HG2' ' CG ' ' A' ' 16' ' ' ASP . 54.2 Cg_endo -69.75 149.33 66.83 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.388 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.443 ' O ' ' C ' ' A' ' 15' ' ' ARG . 4.4 t80 -52.47 -64.64 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 14' ' ' TYR . 7.5 ttp180 -33.85 -57.68 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.401 ' CG ' ' HG2' ' A' ' 13' ' ' PRO . 6.4 m-20 -46.33 -63.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 -49.13 -35.29 16.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.0 t -69.86 -63.16 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.461 HG13 ' N ' ' A' ' 20' ' ' HIS . 50.6 pt -52.69 -37.53 25.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.522 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 15.0 m80 -60.75 -40.92 94.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.7 mt -72.04 -43.9 64.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 85.9 mt -67.12 -28.66 68.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.467 ' CA ' HD13 ' A' ' 68' ' ' LEU . . . -51.07 -70.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.06 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.8 mt -41.01 -49.91 3.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.403 ' HE2' ' CE1' ' A' ' 27' ' ' TYR . 21.7 pttt -158.77 171.37 20.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.75 138.46 42.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.403 ' CE1' ' HE2' ' A' ' 25' ' ' LYS . 13.2 m-85 -127.1 151.98 47.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 29' ' ' LYS . 19.0 mttt -93.25 148.75 21.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.587 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 3.3 tptm -35.51 -54.48 1.22 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.539 0.685 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.4 Cg_endo -69.75 -50.93 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.341 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 32' ' ' LEU . 10.8 tp10 -55.14 -63.68 1.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.417 ' CD1' HD23 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -38.37 -45.16 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 36' ' ' LEU . 12.3 mt -57.01 -59.9 4.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -33.02 -42.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 72.7 mmt-85 -66.99 -47.72 70.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 33' ' ' LEU . 70.2 mt -71.89 -56.82 5.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.02 -37.82 1.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -48.84 -57.46 6.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.45 -20.77 58.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.1 126.33 2.87 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.456 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.2 t -130.84 126.83 60.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.362 . . . . 0.0 111.106 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' A' ' 43' ' ' GLN . 39.8 t-20 -70.46 146.24 50.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.403 ' N ' ' OD1' ' A' ' 42' ' ' ASN . 19.9 tt0 -62.17 -51.32 68.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.27 -18.32 6.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.868 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.49 -32.99 13.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.4 mttt -48.74 -36.41 16.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -87.46 -37.32 17.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.4 p -69.49 -8.54 47.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.461 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -64.64 -61.64 2.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -43.74 -35.41 3.14 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.546 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.15 -52.23 25.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.744 0.306 . . . . 0.0 111.095 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 55' ' ' GLN . 47.4 mt -56.73 -45.7 82.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.455 ' HG ' ' CD2' ' A' ' 49' ' ' LEU . 24.1 mt -46.79 -34.62 5.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -88.74 -19.86 25.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.427 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 34.4 mt-30 -84.1 -22.58 31.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.457 ' CG2' HG21 ' A' ' 19' ' ' ILE . 26.8 m -125.99 -22.01 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.081 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.419 ' CA ' ' O ' ' A' ' 53' ' ' LEU . . . -128.09 176.71 7.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -133.47 129.74 37.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.565 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 4.2 tt -78.55 131.18 36.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' A' ' 62' ' ' LYS . 9.5 t-20 -105.57 93.34 4.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.2 m -38.77 -27.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 60' ' ' ASN . 7.9 tptm -53.56 -65.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -110.54 18.85 19.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.8 mt 44.93 25.04 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.0 p -102.78 140.66 36.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 59' ' ' LEU . 62.3 m-85 -87.46 122.56 31.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 36.3 p -104.43 124.98 50.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.156 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.503 HD12 ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -55.17 131.09 44.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.465 ' N ' HD23 ' A' ' 68' ' ' LEU . 30.0 mttm -55.23 -175.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.487 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 7.3 t70 -91.97 -66.72 0.9 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.572 ' CD1' ' N ' ' A' ' 72' ' ' VAL . 43.9 p90 -46.68 -48.68 20.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.572 ' N ' ' CD1' ' A' ' 71' ' ' TYR . 61.5 t -42.21 -27.87 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.171 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.503 ' CE1' HD12 ' A' ' 68' ' ' LEU . 19.5 m-85 -55.89 -42.87 76.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 71' ' ' TYR . 4.9 ptpt -72.97 -2.46 21.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -99.2 -19.29 17.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.11 -175.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -137.73 120.64 16.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.36 -37.27 86.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -82.26 17.94 1.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.565 ' HB3' ' CD2' ' A' ' 83' ' ' TYR . 74.0 t-105 -57.77 127.35 78.54 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.586 0.707 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.563 ' HD2' ' CE3' ' A' ' 80' ' ' TRP . 53.7 Cg_endo -69.84 3.57 2.74 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.697 2.265 . . . . 0.0 112.323 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.466 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -98.5 -0.83 57.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.526 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.565 ' CD2' ' HB3' ' A' ' 80' ' ' TRP . 23.4 m-85 -113.51 118.54 34.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.869 0.366 . . . . 0.0 110.961 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.7 m -72.1 -178.64 2.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.836 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -48.82 -24.6 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.455 ' O ' ' C ' ' A' ' 87' ' ' ASP . 5.4 mp -95.34 -64.49 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 86' ' ' ILE . 83.8 m-20 -33.89 -53.81 0.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.447 ' N ' ' HB3' ' A' ' 83' ' ' TYR . 60.6 mtp180 -45.32 -49.88 12.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -75.92 -19.4 58.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.864 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.7 t -83.53 -23.17 32.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.506 HD11 ' CZ ' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -88.04 -52.59 5.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.438 ' N ' ' CD2' ' A' ' 91' ' ' LEU . 7.8 pt-20 -43.11 -23.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 91' ' ' LEU . 22.9 t -68.7 -54.96 13.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 92.0 t -54.25 -53.66 27.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 30.6 mt -51.93 -34.89 43.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 34.8 t -70.62 -52.19 23.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 -60.35 -53.17 60.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -56.19 -60.47 3.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 46.1 mt -62.21 97.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 15.2 p30 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.947 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.841 0.353 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -42.11 -33.81 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -69.12 151.69 97.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.585 0.707 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 139.12 39.41 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.245 . . . . 0.0 112.37 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.452 ' O ' ' C ' ' A' ' 15' ' ' ARG . 3.7 t80 -44.58 -61.33 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 11.5 ttm105 -33.68 -64.52 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -49.4 -53.05 24.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -51.56 -30.9 22.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.1 t -78.61 -65.7 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.477 ' CG1' ' N ' ' A' ' 20' ' ' HIS . 8.2 pt -48.41 -46.46 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.742 ' CD2' ' CG ' ' A' ' 80' ' ' TRP . 12.8 m80 -51.45 -27.17 9.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.83 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.8 mt -87.25 -48.59 7.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 25' ' ' LYS . 23.5 mt -60.84 -30.68 70.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.47 ' CA ' HD11 ' A' ' 68' ' ' LEU . . . -48.94 -64.44 0.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.6 mt -43.31 -52.71 5.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 22' ' ' LEU . 37.3 pttt -157.24 171.72 19.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.54 136.78 47.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -127.79 150.34 49.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -94.18 162.8 13.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.587 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -46.72 -54.57 18.6 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.621 0.724 . . . . 0.0 110.903 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.7 Cg_endo -69.76 -50.76 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.653 2.235 . . . . 0.0 112.374 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -55.7 -63.21 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.47 ' CD1' HD22 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -40.61 -43.55 1.93 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 36' ' ' LEU . 10.0 mt -56.4 -63.16 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -31.87 -52.91 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.488 ' HA ' ' CE ' ' A' ' 38' ' ' LYS . 9.2 mmm180 -52.97 -46.8 68.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 33' ' ' LEU . 24.3 mt -73.69 -55.09 6.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.465 ' NE2' ' HB ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -49.43 -29.15 6.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.488 ' CE ' ' HA ' ' A' ' 35' ' ' ARG . 19.6 mtmt -53.49 -34.77 59.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.39 -6.26 23.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.29 120.77 3.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.487 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.465 ' HB ' ' NE2' ' A' ' 37' ' ' GLN . 19.3 t -126.35 120.63 57.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 0.0 111.117 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -69.32 146.88 51.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -60.88 -46.49 90.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -51.4 -44.07 62.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -80.11 -22.57 42.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.9 ttpp -56.92 -52.59 64.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -66.04 -37.41 85.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 60.0 m -64.05 -28.18 69.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.472 HD11 ' CE ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -44.66 -61.42 1.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.05 -33.34 6.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.493 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.8 -41.38 60.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.322 . . . . 0.0 111.073 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.7 mt -67.48 -41.55 86.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.47 HD22 ' CD1' ' A' ' 32' ' ' LEU . 12.7 mt -52.0 -35.07 45.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -89.41 -15.37 33.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -90.84 -24.22 20.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.467 ' CG2' HG22 ' A' ' 19' ' ' ILE . 21.3 m -119.94 -28.97 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -122.29 177.17 5.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.099 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -129.16 129.8 45.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.513 ' HG ' ' CZ ' ' A' ' 66' ' ' TYR . 1.5 tt -79.05 133.87 36.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -113.45 102.22 10.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.0 m -46.04 -29.69 1.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -46.98 -66.6 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -118.37 22.25 12.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.8 mt 45.39 31.44 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.6 p -102.92 136.28 43.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.513 ' CZ ' ' HG ' ' A' ' 59' ' ' LEU . 80.5 m-85 -89.32 120.32 30.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.933 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.3 p -102.29 124.75 48.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.136 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.564 HD13 ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -54.85 127.86 30.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.451 ' N ' HD23 ' A' ' 68' ' ' LEU . 33.3 mttm -51.58 -174.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.527 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 9.5 p-10 -95.87 -60.41 1.65 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.899 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.502 ' CE1' HG22 ' A' ' 72' ' ' VAL . 1.8 p90 -50.43 -44.29 55.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.502 HG22 ' CE1' ' A' ' 71' ' ' TYR . 97.1 t -46.31 -37.47 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.564 ' CE1' HD13 ' A' ' 68' ' ' LEU . 25.8 m-85 -46.88 -33.94 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -70.99 -31.65 68.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -68.92 -36.94 78.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 81.3 mt -40.99 151.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 80' ' ' TRP . 36.6 mt-30 -111.38 105.53 14.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -45.82 -24.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -94.51 27.26 3.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.742 ' CG ' ' CD2' ' A' ' 20' ' ' HIS . 68.2 t-105 -68.24 113.38 14.87 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.547 0.689 . . . . 0.0 110.953 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 1.88 4.04 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.653 2.236 . . . . 0.0 112.38 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.459 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -96.75 22.13 42.11 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.487 ' CZ ' HD12 ' A' ' 91' ' ' LEU . 15.5 m-85 -121.65 120.47 34.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.871 0.367 . . . . 0.0 110.946 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 86' ' ' ILE . 59.3 m -66.04 161.38 21.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -39.92 -29.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 84' ' ' SER . 4.6 mp -91.88 -52.78 9.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.403 ' HB2' ' N ' ' A' ' 84' ' ' SER . 64.7 m-20 -41.02 -56.75 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -43.71 -57.5 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -65.29 -22.15 66.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 m -83.54 -16.54 45.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.487 HD12 ' CZ ' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -91.98 -48.17 6.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -43.28 -23.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 91' ' ' LEU . 29.1 t -75.36 -58.61 3.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 70.9 t -44.16 -51.5 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.074 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 21.1 mt -60.21 -29.48 68.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.3 t -73.49 -37.91 65.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 97' ' ' ARG . 5.3 mtp-105 -77.24 -44.25 30.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -70.96 -65.62 0.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.3 mt -71.44 93.94 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.905 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.2 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.784 0.326 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -63.89 -34.11 77.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.6 mmp_? -69.6 153.52 95.62 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.626 0.727 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 147.91 63.92 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.673 ' N ' HH21 ' A' ' 17' ' ' ARG . 3.2 t80 -52.93 -59.17 4.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 14' ' ' TYR . 12.7 ttp180 -36.74 -64.5 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.01 -54.85 7.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.673 HH21 ' N ' ' A' ' 14' ' ' TYR . 53.3 mtm180 -47.62 -42.34 23.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.452 ' CG1' HD12 ' A' ' 22' ' ' LEU . 97.5 t -67.94 -65.68 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.44 HG23 ' CG2' ' A' ' 56' ' ' VAL . 6.6 pt -50.98 -28.75 6.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.082 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.583 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 7.0 m80 -72.26 -27.15 62.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 45.7 mt -89.53 -41.63 11.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.452 HD12 ' CG1' ' A' ' 18' ' ' VAL . 75.0 mt -66.1 -29.51 69.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.461 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -52.31 -62.57 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.094 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 86.9 mt -45.36 -51.67 10.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.941 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -158.8 174.74 14.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.44 133.53 42.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.113 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -124.69 143.16 50.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.017 0.437 . . . . 0.0 110.901 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 29' ' ' LYS . 8.7 mptt -86.23 149.09 25.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.595 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.7 tptm -36.25 -54.15 1.55 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.596 0.713 . . . . 0.0 110.866 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.1 Cg_endo -69.78 -46.98 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.704 2.269 . . . . 0.0 112.33 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -57.28 -63.18 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.462 ' CD1' HD23 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -39.71 -41.35 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 35' ' ' ARG . 10.0 mt -59.95 -56.17 24.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.464 ' O ' ' CD ' ' A' ' 38' ' ' LYS . . . -35.77 -30.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 33' ' ' LEU . 37.7 mmt-85 -78.56 -47.63 16.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.817 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 17' ' ' ARG . 6.9 mt -72.11 -51.52 21.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.43 -32.86 5.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.464 ' CD ' ' O ' ' A' ' 34' ' ' ALA . 21.0 mtpt -57.75 -55.43 35.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.57 -30.77 66.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.42 102.41 0.84 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.44 HG13 ' CG ' ' A' ' 46' ' ' LYS . 18.6 t -101.04 126.9 54.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.857 0.361 . . . . 0.0 111.159 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -71.11 126.76 30.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -39.15 -38.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.422 ' CE ' ' O ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -61.33 -55.27 33.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.563 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 4.1 m-20 -56.3 -42.24 77.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.44 ' CG ' HG13 ' A' ' 41' ' ' VAL . 54.7 mttt -38.8 -26.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 45' ' ' ASP . 50.5 m-20 -99.26 -38.4 8.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 m -61.67 -38.23 86.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.47 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -37.32 -67.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -39.88 -33.79 0.46 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.514 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.22 -39.55 32.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.739 0.304 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 49' ' ' LEU . 70.3 mt -66.71 -41.75 88.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.527 ' HB3' ' CD1' ' A' ' 66' ' ' TYR . 12.4 mt -53.42 -36.96 62.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -87.49 -11.96 47.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.401 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 18.3 mm-40 -94.8 -21.66 18.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.44 ' CG2' HG23 ' A' ' 19' ' ' ILE . 23.6 m -125.22 -23.74 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -125.79 177.37 6.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.067 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -127.8 130.73 49.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.3 tt -79.96 137.19 36.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -115.51 99.44 7.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.8 p -43.83 -32.82 1.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.5 tttt -43.27 -69.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -115.94 23.41 12.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.8 mt 43.8 38.96 2.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 91.9 p -109.09 143.09 38.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.527 ' CD1' ' HB3' ' A' ' 53' ' ' LEU . 54.5 m-85 -94.09 126.28 39.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.8 p -110.14 124.47 51.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.131 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.558 HD11 ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -54.99 129.53 38.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.467 ' N ' HD23 ' A' ' 68' ' ' LEU . 25.9 mttm -51.48 -175.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.437 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 5.0 t70 -97.66 -40.63 8.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.861 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.595 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.8 p90 -68.9 -46.58 67.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.595 HG23 ' CE1' ' A' ' 71' ' ' TYR . 60.8 t -46.78 -32.55 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.177 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.558 ' CE1' HD11 ' A' ' 68' ' ' LEU . 12.4 m-85 -47.77 -33.96 7.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -73.85 -30.61 62.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -69.04 -22.97 64.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.418 ' CD2' HG13 ' A' ' 19' ' ' ILE . 47.0 mt -58.22 158.0 7.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -117.1 116.61 27.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.3 mtm-85 -58.36 -14.29 7.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -100.71 19.42 17.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.583 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 73.0 t-105 -61.93 121.27 64.21 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.55 0.691 . . . . 0.0 110.944 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 -2.86 10.87 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.655 2.237 . . . . 0.0 112.323 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.457 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -83.87 -22.58 55.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.557 ' CE2' HD13 ' A' ' 91' ' ' LEU . 21.5 m-85 -89.54 116.13 27.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.836 0.35 . . . . 0.0 110.944 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 86' ' ' ILE . 37.6 m -74.79 173.51 10.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -39.78 -25.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.475 ' N ' ' O ' ' A' ' 84' ' ' SER . 4.8 mp -93.28 -64.14 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 86' ' ' ILE . 2.9 m-20 -33.98 -53.52 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -46.36 -53.78 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -70.11 -21.7 63.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 m -83.76 -20.22 33.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.557 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.09 -44.39 8.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -46.02 -24.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.892 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.5 t -74.19 -58.12 3.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 75.7 t -44.87 -50.26 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.094 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 42.6 mt -61.08 -33.36 73.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.4 t -67.46 -35.53 79.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 -81.34 -37.09 28.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -77.65 -69.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 16.5 mt -67.13 101.72 0.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.944 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.2 p . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.842 0.354 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -70.36 -30.03 66.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -71.86 151.09 93.09 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.605 0.717 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' TYR . 53.7 Cg_endo -69.76 134.48 28.09 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.71 2.273 . . . . 0.0 112.344 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.457 ' O ' ' C ' ' A' ' 15' ' ' ARG . 3.0 t80 -36.51 -62.6 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 14' ' ' TYR . 18.4 ttm180 -33.48 -72.33 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.478 ' OD1' ' CE1' ' A' ' 20' ' ' HIS . 10.6 t0 -41.1 -54.5 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -52.32 -38.48 58.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 37.6 t -68.14 -63.06 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.128 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.462 HG13 ' N ' ' A' ' 20' ' ' HIS . 30.5 pt -50.14 -42.57 19.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.137 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.789 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 7.9 m80 -57.63 -24.25 55.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.452 HD12 ' CD2' ' A' ' 32' ' ' LEU . 67.7 mt -89.86 -42.56 11.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.9 mt -67.0 -34.32 77.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.459 ' CA ' HD13 ' A' ' 68' ' ' LEU . . . -45.42 -65.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.0 mt -41.91 -51.1 4.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -161.68 169.02 22.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.33 133.05 47.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.094 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -121.98 155.29 35.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 29' ' ' LYS . 2.4 mptt -97.95 146.33 25.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.926 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.579 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -34.63 -54.88 0.94 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.563 0.696 . . . . 0.0 110.848 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.579 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.8 Cg_endo -69.72 -50.47 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.718 2.279 . . . . 0.0 112.337 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -54.95 -63.38 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.452 ' CD2' HD12 ' A' ' 21' ' ' LEU . 1.1 tt -38.75 -43.0 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 36' ' ' LEU . 11.9 mt -59.95 -53.66 55.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.22 -22.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 33' ' ' LEU . 16.4 mmt180 -88.29 -33.47 18.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 33' ' ' LEU . 13.2 mt -89.52 -53.75 4.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.463 ' N ' ' CG2' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -36.54 -48.75 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.9 ptmt -48.05 -53.43 16.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -67.64 -20.41 65.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.03 94.21 1.46 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.531 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.463 ' CG2' ' N ' ' A' ' 37' ' ' GLN . 20.0 t -101.09 127.27 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 0.0 111.096 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -72.22 145.73 47.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -62.93 -57.3 11.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -51.8 -22.33 3.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.28 -40.21 12.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.429 ' HG2' ' CG1' ' A' ' 41' ' ' VAL . 32.3 mtmt -38.91 -44.08 1.03 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -76.31 -40.07 52.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.4 m -58.87 -35.5 73.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.468 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -41.49 -59.63 1.54 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -43.79 -41.04 5.59 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.447 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.76 -47.32 66.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.76 0.314 . . . . 0.0 111.101 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 55' ' ' GLN . 57.3 mt -57.93 -46.62 87.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.46 ' CD1' HD21 ' A' ' 49' ' ' LEU . 20.7 mt -47.31 -35.4 7.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -88.11 -17.91 29.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 52' ' ' ILE . 25.6 mt-30 -88.08 -23.15 23.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.4 m -124.6 -23.96 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.426 ' CA ' ' O ' ' A' ' 53' ' ' LEU . . . -124.26 177.23 5.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -129.46 130.04 45.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.483 ' HG ' ' CZ ' ' A' ' 66' ' ' TYR . 1.1 tt -78.75 131.59 36.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -109.28 106.44 16.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.7 t -49.19 -33.06 11.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.8 tttt -43.87 -68.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -118.31 29.81 7.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.1 mt 38.25 32.82 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.8 p -103.1 139.63 38.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.483 ' CZ ' ' HG ' ' A' ' 59' ' ' LEU . 74.8 m-85 -90.0 127.58 36.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 42.9 p -111.34 125.81 54.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.137 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.567 HD12 ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -55.02 130.26 41.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.464 ' N ' HD21 ' A' ' 68' ' ' LEU . 30.1 mttm -52.09 -175.4 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.523 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 5.2 p-10 -97.47 -43.3 7.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.578 ' CE1' HG21 ' A' ' 72' ' ' VAL . 1.8 p90 -66.35 -41.64 89.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.927 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.578 HG21 ' CE1' ' A' ' 71' ' ' TYR . 53.0 t -52.29 -30.69 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.567 ' CE1' HD12 ' A' ' 68' ' ' LEU . 15.3 m-85 -51.24 -28.83 12.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -78.95 -29.44 44.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -73.47 -24.51 60.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 68.7 mt -50.27 176.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -132.05 120.53 22.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -65.09 -25.77 67.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -96.19 24.93 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.789 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 73.6 t-105 -62.98 122.32 74.25 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.581 0.705 . . . . 0.0 110.906 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -0.85 7.53 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.699 2.266 . . . . 0.0 112.32 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.432 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -89.77 -9.44 66.23 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.531 ' CE2' ' CD1' ' A' ' 91' ' ' LEU . 22.4 m-85 -102.74 114.67 29.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 110.91 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 47.2 m -73.96 -176.7 2.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -50.13 -22.74 1.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.452 HD11 ' N ' ' A' ' 86' ' ' ILE . 3.1 mp -96.75 -62.07 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.101 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -36.68 -54.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.407 ' N ' ' HB3' ' A' ' 83' ' ' TYR . 58.7 mtp180 -46.01 -54.47 8.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -69.09 -21.69 64.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.1 m -84.04 -17.6 39.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.531 ' CD1' ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.05 -41.15 10.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.455 ' N ' HD23 ' A' ' 91' ' ' LEU . 8.8 pt-20 -49.87 -18.33 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 96' ' ' SER . 23.3 t -77.28 -69.79 0.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.842 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 93' ' ' SER . 50.7 t -35.91 -61.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.114 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 43.7 mt -47.06 -41.15 16.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 93' ' ' SER . 47.2 t -66.81 -32.71 74.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -81.89 -20.41 38.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.528 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 70.2 mmtt -99.28 -65.69 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 92.2 mt -61.14 96.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.934 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.814 0.34 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -43.44 -39.08 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -68.26 150.92 97.54 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.616 0.722 . . . . 0.0 110.853 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 146.87 61.17 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.671 2.247 . . . . 0.0 112.328 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.454 ' O ' ' C ' ' A' ' 15' ' ' ARG . 6.0 t80 -49.84 -63.56 1.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 14' ' ' TYR . 20.1 ttm180 -33.89 -57.07 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.58 -54.95 18.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.82 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.468 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 44.4 mtp180 -54.42 -31.49 55.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.4 t -71.15 -60.01 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.453 HG13 ' N ' ' A' ' 20' ' ' HIS . 31.1 pt -58.11 -40.86 78.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.62 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 11.5 m80 -57.12 -24.37 53.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.456 HD11 ' CD2' ' A' ' 32' ' ' LEU . 60.6 mt -90.29 -45.75 8.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 54.5 mt -62.97 -34.35 77.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.452 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -46.74 -63.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.088 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.7 mt -45.02 -49.77 11.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -162.67 172.37 15.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.61 134.0 47.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.566 ' CD2' ' OE2' ' A' ' 31' ' ' GLU . 13.6 m-85 -126.63 140.0 52.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.928 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 29' ' ' LYS . 19.7 mttt -83.92 151.74 24.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.905 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.572 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -36.56 -55.52 1.47 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.611 0.719 . . . . 0.0 110.935 179.87 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.4 Cg_endo -69.8 -49.75 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.627 2.218 . . . . 0.0 112.308 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.566 ' OE2' ' CD2' ' A' ' 27' ' ' TYR . 29.0 tt0 -53.4 -63.96 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.456 ' CD2' HD11 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -37.04 -47.51 0.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.964 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 36' ' ' LEU . 12.0 mt -55.33 -57.91 9.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -33.75 -41.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -68.76 -46.02 69.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 33' ' ' LEU . 9.4 mt -73.91 -58.8 3.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.962 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.31 -34.31 0.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -49.57 -50.68 41.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -81.87 -28.79 32.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 137.86 119.17 1.75 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.457 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.4 t -125.57 126.32 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 111.103 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -70.27 152.66 43.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -68.13 -48.09 66.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -59.57 -23.93 63.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.01 -31.41 18.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.821 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.7 mtmt -47.24 -56.72 6.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -68.04 -40.67 82.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.1 m -59.02 -26.61 64.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.468 HD23 ' CD1' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -51.03 -58.76 5.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -41.72 -33.88 1.14 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.487 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.45 -49.59 26.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.71 0.29 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.9 mt -55.58 -43.01 71.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.468 ' CD1' HD23 ' A' ' 49' ' ' LEU . 13.4 mt -53.37 -37.88 62.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.39 -11.55 54.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.408 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 28.7 mt-30 -94.75 -23.7 17.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.439 ' CG2' HG21 ' A' ' 19' ' ' ILE . 22.9 m -123.67 -23.56 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -124.22 177.0 6.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.088 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -128.01 131.24 49.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.512 ' HG ' ' CZ ' ' A' ' 66' ' ' TYR . 1.3 tt -79.31 134.41 36.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.469 ' N ' HD23 ' A' ' 59' ' ' LEU . 12.2 t-20 -109.67 86.35 2.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 60' ' ' ASN . 70.1 m -36.96 -30.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 60' ' ' ASN . 1.2 tppt? -51.16 -59.66 3.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.942 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -115.51 12.19 16.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.2 mt 52.49 25.07 3.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.3 p -101.95 141.04 35.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.512 ' CZ ' ' HG ' ' A' ' 59' ' ' LEU . 76.3 m-85 -91.78 127.28 37.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 42.4 p -110.38 125.03 52.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.169 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.565 HD11 ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -53.71 129.48 33.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.465 ' N ' HD23 ' A' ' 68' ' ' LEU . 26.1 mttm -51.27 -175.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.414 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 2.3 p-10 -97.49 -41.1 8.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.586 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.8 p90 -68.18 -45.63 72.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.586 HG23 ' CE1' ' A' ' 71' ' ' TYR . 59.8 t -47.29 -32.36 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.565 ' CE1' HD11 ' A' ' 68' ' ' LEU . 13.6 m-85 -49.7 -33.78 16.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -72.89 -29.34 63.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -74.02 -28.79 61.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.1 mt -46.33 167.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -120.86 115.98 24.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -58.82 -28.85 66.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -95.87 33.46 1.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.62 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 72.2 t-105 -73.14 122.7 88.32 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.581 0.705 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -5.64 16.72 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.258 . . . . 0.0 112.356 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.459 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -82.58 -19.46 63.88 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.458 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.556 ' CD2' ' HB3' ' A' ' 80' ' ' TRP . 25.1 m-85 -89.3 114.26 25.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.886 0.374 . . . . 0.0 110.925 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.5 m -74.21 179.06 4.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -47.87 -19.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 87' ' ' ASP . 6.2 mm -96.67 -67.01 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 87' ' ' ASP . 1.0 OUTLIER -34.13 -56.24 0.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.847 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -44.13 -54.08 5.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -69.79 -19.81 63.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.6 m -88.54 -19.68 26.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.52 HD11 ' CZ ' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.16 -51.02 5.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 91' ' ' LEU . 0.6 OUTLIER -33.3 -45.14 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 96' ' ' SER . 11.4 t -65.41 -61.82 1.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 93' ' ' SER . 52.9 t -34.3 -60.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 83.6 mt -46.22 -41.59 13.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 93' ' ' SER . 22.0 t -72.66 -49.07 34.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.454 ' CZ ' ' HA ' ' A' ' 97' ' ' ARG . 1.7 mmp_? -54.77 -33.19 60.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.845 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.557 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 61.6 mmtt -87.17 -60.02 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 20.3 mt -63.15 94.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.906 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.1 p . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.808 0.337 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -43.5 -31.55 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.3 mmt-85 -73.0 149.82 89.98 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.576 0.703 . . . . 0.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 149.56 66.86 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.674 2.249 . . . . 0.0 112.307 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.458 ' O ' ' C ' ' A' ' 15' ' ' ARG . 6.1 t80 -52.25 -64.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 14' ' ' TYR . 7.5 ttp180 -33.93 -47.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.44 -58.62 7.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.41 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 22.8 mtp180 -53.1 -29.15 29.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 70.4 t -76.44 -59.68 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.464 HG21 ' CG2' ' A' ' 56' ' ' VAL . 26.8 pt -55.98 -41.69 68.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.664 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 21.0 m80 -57.29 -30.87 65.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.5 mt -84.72 -39.93 17.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.424 HD12 ' CD2' ' A' ' 53' ' ' LEU . 61.5 mt -67.54 -28.29 67.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.944 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.47 ' CA ' HD11 ' A' ' 68' ' ' LEU . . . -52.58 -71.64 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 23' ' ' ALA . 95.7 mt -37.6 -44.55 0.7 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.8 pttt -168.14 167.85 12.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.59 137.97 50.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -126.19 152.75 45.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 29' ' ' LYS . 6.7 mptt -92.95 148.53 21.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.583 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -35.99 -54.77 1.38 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.548 0.69 . . . . 0.0 110.867 179.878 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.8 Cg_endo -69.78 -50.25 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.674 2.249 . . . . 0.0 112.347 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 32' ' ' LEU . 31.7 tt0 -55.14 -63.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -37.27 -44.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 36' ' ' LEU . 11.8 mt -58.34 -58.41 8.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -35.56 -31.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.072 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 33' ' ' LEU . 23.7 mmt-85 -78.92 -45.48 20.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 33' ' ' LEU . 10.5 mt -75.04 -53.18 9.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.469 ' OE1' ' CE ' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -44.27 -30.95 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.896 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -53.93 -54.8 33.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.18 -24.79 47.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.65 118.37 1.89 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 37' ' ' GLN . 21.7 t -127.7 120.05 53.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.89 0.376 . . . . 0.0 111.136 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -65.95 154.01 40.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -67.9 -46.9 70.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -56.35 -23.02 34.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.63 -35.81 17.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.469 ' CE ' ' OE1' ' A' ' 37' ' ' GLN . 19.8 mttm -48.47 -34.78 11.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -86.47 -37.5 18.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.6 p -73.56 -7.75 53.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.47 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -67.79 -47.62 68.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -57.06 -33.92 65.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.99 -42.25 66.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.769 0.319 . . . . 0.0 111.106 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 55' ' ' GLN . 58.7 mt -64.81 -47.86 86.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.445 ' CD1' HD23 ' A' ' 49' ' ' LEU . 19.2 mt -46.65 -33.18 4.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -89.35 -19.44 25.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 52' ' ' ILE . 46.7 mm-40 -85.94 -23.86 26.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.464 ' CG2' HG21 ' A' ' 19' ' ' ILE . 22.8 m -121.47 -25.69 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -122.76 177.22 5.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -127.49 131.86 50.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.412 ' C ' HD21 ' A' ' 59' ' ' LEU . 2.4 tt -79.47 133.18 36.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.472 ' O ' ' N ' ' A' ' 62' ' ' LYS . 12.0 t-20 -109.09 89.81 3.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 60' ' ' ASN . 50.8 m -36.95 -30.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 60' ' ' ASN . 30.1 tptt -46.91 -66.29 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.402 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 17.2 p-10 -116.67 18.49 14.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.0 mt 50.33 33.57 7.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 91.6 p -103.48 142.79 33.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.425 ' CD1' ' HB3' ' A' ' 53' ' ' LEU . 68.8 m-85 -95.18 119.4 33.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.935 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.8 p -103.12 124.74 49.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.572 HD13 ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -54.72 128.89 34.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.42 ' N ' HD23 ' A' ' 68' ' ' LEU . 30.5 mttm -52.09 -178.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.533 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 1.1 p30 -97.63 -36.94 10.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.581 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.5 p90 -70.44 -40.34 73.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.581 HG23 ' CE1' ' A' ' 71' ' ' TYR . 47.9 t -54.7 -29.95 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.118 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.572 ' CE1' HD13 ' A' ' 68' ' ' LEU . 13.9 m-85 -50.12 -30.4 11.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.6 ptmm? -74.81 -33.92 62.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -67.12 -37.38 83.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 74.8 mt -40.49 161.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 80' ' ' TRP . 52.4 mt-30 -120.09 104.47 10.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.6 mtm-85 -47.62 -27.24 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -92.25 27.54 2.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.664 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 75.5 t-105 -68.71 111.94 9.8 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.596 0.712 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 1.37 4.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.385 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.455 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -94.33 21.26 43.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.475 ' CA ' ' HB2' ' A' ' 87' ' ' ASP . 21.6 m-85 -123.21 115.79 22.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.883 0.373 . . . . 0.0 110.909 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.472 ' N ' ' HB2' ' A' ' 87' ' ' ASP . 62.8 m -64.32 168.1 6.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 84' ' ' SER . 11.8 tt0 -35.86 -33.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.482 ' O ' ' C ' ' A' ' 87' ' ' ASP . 6.4 mm -90.18 -60.94 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.482 ' C ' ' O ' ' A' ' 86' ' ' ILE . 10.8 m-20 -31.03 -47.73 0.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.433 ' N ' ' HB3' ' A' ' 83' ' ' TYR . 41.9 mtp180 -61.83 -68.27 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -13.58 1.84 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.41 -21.66 21.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.05 -42.7 9.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -42.59 -27.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.1 t -74.16 -57.32 4.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.1 t -43.0 -60.36 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 48.3 mt -51.81 -38.1 54.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.958 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.6 t -67.97 -34.25 76.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 -75.85 -52.37 10.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -64.78 -65.61 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.5 mt -65.53 92.41 0.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.9 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.4 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.848 0.356 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -50.14 -34.34 21.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -71.36 152.26 94.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.611 0.72 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 142.78 49.05 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.715 2.277 . . . . 0.0 112.354 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.597 ' CE2' ' O ' ' A' ' 45' ' ' ASP . 6.5 t80 -47.0 -63.43 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 14' ' ' TYR . 8.2 ttp180 -32.98 -57.93 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.32 -51.46 54.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -57.13 -31.94 65.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 76.1 t -73.4 -59.08 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.45 HG13 ' N ' ' A' ' 20' ' ' HIS . 16.4 pt -57.61 -46.25 86.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.59 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 15.3 m80 -52.79 -23.97 7.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.432 HD13 ' CD2' ' A' ' 32' ' ' LEU . 51.5 mt -90.35 -49.34 6.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.44 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 67.9 mt -61.38 -28.88 69.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.401 ' CA ' HD13 ' A' ' 68' ' ' LEU . . . -51.75 -67.75 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.3 mt -42.34 -46.83 4.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.45 ' HE2' ' CZ ' ' A' ' 27' ' ' TYR . 39.0 pttt -162.6 166.83 24.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.7 137.19 51.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.058 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.45 ' CZ ' ' HE2' ' A' ' 25' ' ' LYS . 16.1 m-85 -128.25 144.29 51.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 29' ' ' LYS . 22.0 mttt -88.71 150.19 23.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.589 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -35.57 -54.51 1.25 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.575 0.702 . . . . 0.0 110.882 179.796 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.5 Cg_endo -69.75 -49.8 0.53 Allowed 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.736 2.291 . . . . 0.0 112.373 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -55.76 -63.58 1.13 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.432 ' CD2' HD13 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -38.58 -42.17 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 36' ' ' LEU . 13.2 mt -61.08 -53.75 53.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.1 -21.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.41 ' N ' ' C ' ' A' ' 33' ' ' LEU . 13.4 mmm180 -89.17 -32.39 17.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 33' ' ' LEU . 17.2 mt -90.7 -53.89 4.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.45 ' OE1' ' NZ ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -36.47 -46.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -51.02 -54.51 23.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -69.55 -19.49 63.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.13 110.4 1.9 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.409 HG23 ' N ' ' A' ' 37' ' ' GLN . 13.2 t -120.44 114.55 44.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 111.136 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.463 HD21 ' N ' ' A' ' 43' ' ' GLN . 0.1 OUTLIER -76.39 133.02 40.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.463 ' N ' HD21 ' A' ' 42' ' ' ASN . 10.0 tt0 -39.65 -55.45 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.42 ' HG2' ' ND2' ' A' ' 42' ' ' ASN . 11.6 ptpt -52.0 -42.33 62.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.597 ' O ' ' CE2' ' A' ' 14' ' ' TYR . 69.6 m-20 -79.67 -16.35 55.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.45 ' NZ ' ' OE1' ' A' ' 37' ' ' GLN . 0.1 OUTLIER -77.82 -45.32 24.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -70.58 -38.97 74.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.8 m -68.24 -26.78 65.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.473 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -40.89 -58.06 1.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -48.41 -35.96 16.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.36 -40.74 70.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 111.109 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.5 mt -66.32 -45.62 89.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 66' ' ' TYR . 14.3 mt -48.58 -36.53 15.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -86.06 -18.14 33.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -88.51 -22.97 23.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.411 HG23 ' CG2' ' A' ' 19' ' ' ILE . 17.5 m -124.36 -22.54 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.442 ' CA ' ' O ' ' A' ' 53' ' ' LEU . . . -124.53 177.36 5.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -130.78 129.24 42.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.443 HD22 ' N ' ' A' ' 60' ' ' ASN . 2.3 tt -78.57 133.55 37.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.443 ' N ' HD22 ' A' ' 59' ' ' LEU . 10.7 t-20 -112.83 92.6 4.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 60' ' ' ASN . 67.0 m -36.83 -32.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 60' ' ' ASN . 23.5 tptt -41.89 -69.75 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -113.54 15.85 18.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.847 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.9 mt 51.19 38.47 21.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.6 p -111.93 137.64 49.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.829 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.467 ' CD1' ' HB3' ' A' ' 53' ' ' LEU . 52.8 m-85 -87.73 119.9 28.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.0 p -101.93 125.39 48.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.118 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.565 HD12 ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -56.81 128.54 37.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.468 ' N ' HD23 ' A' ' 68' ' ' LEU . 31.8 mttt -51.03 -178.44 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.541 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 5.0 p-10 -97.34 -39.75 9.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.576 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.6 p90 -67.48 -42.21 83.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.576 HG23 ' CE1' ' A' ' 71' ' ' TYR . 69.3 t -51.42 -32.29 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.565 ' CE1' HD12 ' A' ' 68' ' ' LEU . 17.0 m-85 -49.31 -32.19 10.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.2 pttt -74.19 -28.03 61.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -75.98 -24.91 55.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 70.5 mt -47.5 172.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' A' ' 80' ' ' TRP . 21.3 mm-40 -123.6 94.8 4.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -42.04 -24.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 77' ' ' GLN . 2.5 m-20 -103.11 35.53 2.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.59 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 72.7 t-105 -69.61 127.45 92.67 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.524 0.678 . . . . 0.0 110.946 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.539 ' HD2' ' CE3' ' A' ' 80' ' ' TRP . 54.5 Cg_endo -69.72 -5.05 15.24 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.692 2.261 . . . . 0.0 112.399 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.439 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -84.78 -16.46 65.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.502 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.561 ' CD2' ' HB3' ' A' ' 80' ' ' TRP . 17.8 m-85 -95.2 119.91 34.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.93 0.395 . . . . 0.0 110.903 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.1 m -81.4 -178.75 7.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -46.34 -24.74 0.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.453 ' O ' ' C ' ' A' ' 87' ' ' ASP . 5.3 mm -94.72 -65.08 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.152 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 86' ' ' ILE . 2.9 m-20 -34.3 -57.02 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -43.39 -54.84 4.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -69.83 -19.51 63.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.4 m -87.83 -18.12 30.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.551 HD12 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -91.89 -40.5 11.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.869 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.463 ' N ' HD22 ' A' ' 91' ' ' LEU . 7.6 pt-20 -44.74 -30.07 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.1 t -65.27 -63.27 1.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.1 t -41.21 -59.42 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.425 ' CD1' HD21 ' A' ' 91' ' ' LEU . 42.8 mt -54.7 -34.46 62.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.5 t -69.26 -39.2 78.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 -74.36 -40.49 62.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.409 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 21.3 mmtp -73.27 -61.9 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 50.2 mt -72.32 99.98 2.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.931 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.5 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.841 0.353 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -53.58 -22.41 8.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -80.44 151.56 72.09 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.603 0.716 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 141.43 45.22 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.729 2.286 . . . . 0.0 112.322 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 15' ' ' ARG . 4.5 t80 -44.73 -63.61 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 14' ' ' TYR . 15.1 ttm180 -34.01 -60.86 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.24 -52.9 14.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.465 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 34.2 mtp180 -56.71 -30.93 63.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.449 ' CG1' HD11 ' A' ' 32' ' ' LEU . 88.9 t -76.12 -59.59 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.457 HG13 ' N ' ' A' ' 20' ' ' HIS . 17.1 pt -56.84 -46.12 83.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.127 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.613 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 15.7 m80 -53.56 -26.64 22.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.462 HD12 ' CD2' ' A' ' 32' ' ' LEU . 55.6 mt -86.69 -46.51 9.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.416 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 60.6 mt -63.24 -31.66 72.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.465 ' CA ' HD13 ' A' ' 68' ' ' LEU . . . -48.14 -64.62 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.9 mt -43.46 -50.01 7.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.0 pttt -161.97 171.95 16.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.7 132.34 45.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.416 ' HB2' ' CD2' ' A' ' 22' ' ' LEU . 15.6 m-85 -126.3 135.86 52.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -80.25 156.18 26.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.603 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 5.0 tptm -41.2 -53.55 6.56 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.566 0.698 . . . . 0.0 110.931 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.73 -50.74 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.702 2.268 . . . . 0.0 112.363 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -54.31 -63.27 1.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.462 ' CD2' HD12 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -40.04 -46.59 2.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 36' ' ' LEU . 9.3 mt -53.57 -60.39 3.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -32.62 -48.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.483 ' HA ' ' CE ' ' A' ' 38' ' ' LYS . 8.8 mmt180 -61.34 -44.68 96.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 33' ' ' LEU . 46.7 mt -74.4 -58.01 3.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.431 ' NE2' ' HB ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -41.12 -33.47 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.483 ' CE ' ' HA ' ' A' ' 35' ' ' ARG . 22.2 mtmt -45.52 -55.6 6.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -78.84 -22.88 45.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.32 122.81 2.53 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.431 ' HB ' ' NE2' ' A' ' 37' ' ' GLN . 17.5 t -123.28 136.84 58.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 111.111 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -82.68 125.92 31.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.82 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -46.48 -46.4 18.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -57.8 -28.65 64.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.6 -26.5 27.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -56.29 -48.9 75.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -65.27 -32.44 74.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 p -75.12 -34.05 61.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.472 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 0.6 OUTLIER -41.29 -57.32 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.931 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.85 -36.03 13.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.73 -44.89 65.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.762 0.315 . . . . 0.0 111.093 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' GLN . 47.8 mt -61.97 -47.87 91.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.509 ' HB3' ' CD1' ' A' ' 66' ' ' TYR . 14.5 mt -45.82 -34.34 3.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -87.76 -20.72 25.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 52' ' ' ILE . 30.9 mt-30 -84.6 -24.03 29.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.444 ' CG2' HG23 ' A' ' 19' ' ' ILE . 20.9 m -122.75 -23.58 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.427 ' CA ' ' O ' ' A' ' 53' ' ' LEU . . . -124.9 177.37 6.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.078 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -126.98 130.78 50.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.449 ' HG ' ' CZ ' ' A' ' 66' ' ' TYR . 0.7 OUTLIER -78.72 131.53 36.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -109.97 95.41 5.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.8 t -43.46 -24.92 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.1 tptt -49.91 -65.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -116.93 13.97 15.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.7 mt 56.48 24.98 9.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.1 p -98.38 143.43 28.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.509 ' CD1' ' HB3' ' A' ' 53' ' ' LEU . 61.2 m-85 -93.5 126.54 38.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 67.1 p -108.68 124.59 50.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.119 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.573 HD12 ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -55.27 129.17 37.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.456 ' N ' HD23 ' A' ' 68' ' ' LEU . 27.4 mttm -51.86 -174.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.445 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 1.6 m-20 -97.28 -44.8 6.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.581 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.9 p90 -64.73 -46.56 81.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.581 HG23 ' CE1' ' A' ' 71' ' ' TYR . 58.1 t -45.19 -35.02 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.13 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CE1' HD12 ' A' ' 68' ' ' LEU . 15.6 m-85 -46.78 -36.69 7.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -69.49 -31.88 70.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -71.6 -23.7 61.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 66.7 mt -51.28 170.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -128.54 115.65 18.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.6 mtm180 -60.38 -20.48 59.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -98.64 22.79 9.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.613 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 68.6 t-105 -62.28 118.88 44.39 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.605 0.717 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 0.96 4.92 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.309 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -90.81 -9.52 64.07 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.507 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.485 ' CD2' ' HB3' ' A' ' 80' ' ' TRP . 20.8 m-85 -100.68 118.07 36.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 110.936 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 86' ' ' ILE . 61.4 m -75.85 173.3 11.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -39.33 -26.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.469 ' N ' ' O ' ' A' ' 84' ' ' SER . 6.5 mm -93.97 -64.05 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 86' ' ' ILE . 3.4 m-20 -33.91 -51.97 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.419 ' N ' ' HB3' ' A' ' 83' ' ' TYR . 97.5 mtt180 -50.62 -64.06 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.432 ' NH1' ' HB2' ' A' ' 89' ' ' ARG . 0.6 OUTLIER -58.55 -22.73 56.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.892 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -82.52 -20.39 36.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.478 HD12 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.08 -46.49 7.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.413 ' N ' HD21 ' A' ' 91' ' ' LEU . 9.2 pt-20 -43.05 -25.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 34.6 t -73.06 -58.83 3.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 88.1 t -44.56 -51.95 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 61.1 mt -60.95 -37.55 82.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.0 t -67.52 -32.7 73.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.9 mtm180 -79.35 -49.9 11.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 47.4 mmtt -66.54 -62.96 1.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 35.2 mt -69.1 99.31 1.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 179.908 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.2 t . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.827 0.346 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -59.85 -30.26 68.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.442 ' HG3' ' CZ3' ' A' ' 80' ' ' TRP . 5.0 mmp_? -70.44 152.65 95.42 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.57 0.7 . . . . 0.0 110.861 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 14' ' ' TYR . 53.5 Cg_endo -69.79 132.77 23.99 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.708 2.272 . . . . 0.0 112.313 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.446 ' C ' ' O ' ' A' ' 13' ' ' PRO . 5.6 t80 -34.98 -64.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 14' ' ' TYR . 16.1 ttp180 -34.23 -58.71 0.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.65 -50.73 23.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -57.18 -38.99 74.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.443 ' CG1' HD13 ' A' ' 32' ' ' LEU . 72.2 t -68.54 -59.63 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.466 HG22 ' CG2' ' A' ' 56' ' ' VAL . 24.4 pt -54.88 -41.19 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.773 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 9.0 m80 -57.76 -35.0 70.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 82.5 mt -81.54 -41.64 21.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.416 HD11 ' CB ' ' A' ' 57' ' ' ALA . 40.4 mt -65.32 -31.73 73.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.461 ' CA ' HD11 ' A' ' 68' ' ' LEU . . . -52.94 -65.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.8 mt -38.84 -47.17 1.38 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -167.06 172.97 9.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.04 134.44 47.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.058 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -126.82 153.83 45.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 29' ' ' LYS . 3.8 mptt -96.38 149.34 21.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.597 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.3 tptm -36.9 -54.03 1.82 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.592 0.711 . . . . 0.0 110.903 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.597 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.7 Cg_endo -69.77 -49.78 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -56.07 -63.69 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.443 HD13 ' CG1' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -38.86 -42.08 0.8 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 36' ' ' LEU . 10.2 mt -60.12 -55.91 28.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -39.82 -25.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.492 ' HA ' ' CE ' ' A' ' 38' ' ' LYS . 57.7 mmt-85 -85.29 -37.26 20.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' A' ' 33' ' ' LEU . 25.6 mt -82.04 -50.56 8.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.456 ' NE2' ' HB ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -51.78 -42.3 62.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.954 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.492 ' CE ' ' HA ' ' A' ' 35' ' ' ARG . 1.3 ptpt -54.04 -38.78 65.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -84.01 -26.65 28.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.91 106.83 1.07 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.513 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.456 ' HB ' ' NE2' ' A' ' 37' ' ' GLN . 19.1 t -120.23 151.13 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 111.138 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' A' ' 45' ' ' ASP . 2.4 t30 -108.48 125.71 52.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -38.14 -35.39 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -60.5 -44.88 95.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 48' ' ' SER . 5.9 m-20 -69.08 -43.66 74.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 45' ' ' ASP . 4.5 mtmp? -37.96 -40.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -72.61 -43.23 63.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 45' ' ' ASP . 25.3 m -62.76 -40.8 98.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.471 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -38.63 -68.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.42 -37.69 1.24 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.05 -35.36 49.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.736 0.303 . . . . 0.0 111.086 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 49' ' ' LEU . 84.3 mt -69.12 -41.0 81.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.152 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.542 HD12 ' CE2' ' A' ' 66' ' ' TYR . 12.5 mt -53.03 -34.13 55.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -90.17 -14.72 32.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.411 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 7.7 mm100 -91.74 -24.5 19.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.466 ' CG2' HG22 ' A' ' 19' ' ' ILE . 26.2 m -120.24 -26.42 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.416 ' CB ' HD11 ' A' ' 22' ' ' LEU . . . -123.24 177.36 5.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -127.98 129.22 46.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.416 HD23 ' N ' ' A' ' 60' ' ' ASN . 2.1 tt -79.01 133.17 36.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 62' ' ' LYS . 29.1 t30 -111.28 94.71 5.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.6 t -39.14 -27.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 60' ' ' ASN . 6.8 tptp -48.16 -68.05 0.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -115.73 20.22 14.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.8 mt 48.24 26.2 1.02 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 99.7 p -97.42 143.0 28.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.542 ' CE2' HD12 ' A' ' 53' ' ' LEU . 48.5 m-85 -92.61 129.01 38.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 38.2 p -113.55 124.61 52.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.156 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.568 HD13 ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -55.17 129.03 36.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.466 ' N ' HD22 ' A' ' 68' ' ' LEU . 29.3 mttm -51.93 -175.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.53 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 4.9 p-10 -97.58 -43.45 7.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.579 ' CE1' HG22 ' A' ' 72' ' ' VAL . 1.7 p90 -65.9 -40.71 91.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.579 HG22 ' CE1' ' A' ' 71' ' ' TYR . 53.1 t -53.2 -31.92 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.095 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.568 ' CE1' HD13 ' A' ' 68' ' ' LEU . 15.1 m-85 -49.04 -33.11 10.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -73.49 -31.9 63.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -69.15 -23.21 63.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.0 mt -55.65 164.23 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -126.34 114.04 17.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 -57.21 -14.33 4.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -99.91 18.65 17.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.773 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 73.0 t-105 -64.39 120.28 63.74 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.545 0.688 . . . . 0.0 110.926 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -5.15 15.52 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.31 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.46 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -84.02 -11.8 78.1 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.567 ' CE2' HD12 ' A' ' 91' ' ' LEU . 25.1 m-85 -96.53 114.0 25.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.864 0.364 . . . . 0.0 110.914 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.47 ' N ' ' HB2' ' A' ' 87' ' ' ASP . 31.5 m -67.28 176.77 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -50.72 -22.92 2.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.406 ' O ' ' CG ' ' A' ' 89' ' ' ARG . 4.5 mp -96.74 -45.77 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.47 ' HB2' ' N ' ' A' ' 84' ' ' SER . 0.9 OUTLIER -50.19 -54.39 21.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 -45.49 -50.13 13.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.406 ' CG ' ' O ' ' A' ' 86' ' ' ILE . 4.5 ptm180 -71.86 -23.8 61.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -80.69 -20.92 41.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.567 HD12 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.03 -47.4 7.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.461 ' N ' HD21 ' A' ' 91' ' ' LEU . 8.7 pt-20 -44.41 -24.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.7 t -77.29 -53.22 7.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 74.9 t -47.98 -51.08 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.091 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 32.2 mt -57.13 -34.22 68.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.9 t -68.0 -39.54 83.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -76.19 -38.77 56.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.532 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 37.5 mmtm -78.0 -63.99 1.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 36.1 mt -68.64 97.27 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.966 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.921 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -73.74 169.25 17.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.845 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.7 p -98.61 -56.27 2.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.81 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.03 175.99 44.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.3 p -158.72 171.92 19.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 0.0 110.886 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 t -96.41 97.51 9.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.832 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.56 93.45 1.58 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.469 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.2 p -101.03 153.32 19.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.323 . . . . 0.0 111.137 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.46 ' CD1' ' HG2' ' A' ' 81' ' ' PRO . 49.4 mm -64.19 -43.56 97.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.088 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.2 p -51.25 -43.57 61.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -55.18 -24.38 26.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -80.43 152.26 72.88 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.644 0.735 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 134.84 29.11 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.273 . . . . 0.0 112.389 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.452 ' O ' ' C ' ' A' ' 15' ' ' ARG . 5.6 t80 -41.84 -61.05 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 14' ' ' TYR . 15.1 ttp180 -33.52 -66.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -43.73 -57.52 3.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.413 ' HA ' ' CZ2' ' A' ' 80' ' ' TRP . 64.9 mtp180 -49.52 -37.15 25.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.9 t -70.56 -65.53 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.465 HG13 ' N ' ' A' ' 20' ' ' HIS . 27.4 pt -48.36 -43.93 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.717 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 13.2 m80 -53.2 -27.54 22.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.805 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.403 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 58.9 mt -88.42 -47.46 8.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.7 mt -64.17 -22.18 66.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.469 ' CA ' HD11 ' A' ' 68' ' ' LEU . . . -54.16 -69.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.1 mt -43.5 -46.36 6.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.408 ' HE2' ' CE1' ' A' ' 27' ' ' TYR . 31.4 pttt -161.59 169.93 20.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.93 143.3 43.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.408 ' CE1' ' HE2' ' A' ' 25' ' ' LYS . 12.2 m-85 -130.13 154.92 47.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.91 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 29' ' ' LYS . 8.7 mptt -91.76 147.72 22.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.899 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.589 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.2 tptm -35.81 -54.68 1.32 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.608 0.718 . . . . 0.0 110.904 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.2 Cg_endo -69.73 -50.48 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.651 2.234 . . . . 0.0 112.357 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 32' ' ' LEU . 9.8 tt0 -54.52 -66.96 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 31' ' ' GLU . 0.5 OUTLIER -34.11 -44.16 0.17 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 35' ' ' ARG . 12.8 mt -61.24 -55.29 33.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.501 ' O ' ' CG ' ' A' ' 38' ' ' LYS . . . -40.21 -24.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 33' ' ' LEU . 13.9 mmt180 -85.16 -44.49 12.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' GLN . 10.4 mt -78.87 -54.04 6.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.434 ' NE2' ' HB ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -35.91 -45.64 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -42.44 -58.37 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.79 -24.22 65.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.68 111.81 1.83 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.492 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.434 ' HB ' ' NE2' ' A' ' 37' ' ' GLN . 18.9 t -114.47 123.64 70.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.83 0.348 . . . . 0.0 111.146 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -64.67 136.19 56.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -57.55 -49.67 75.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -56.53 -24.57 47.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -87.7 -36.33 17.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.853 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -42.65 -34.24 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -82.82 -42.49 17.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 98.4 p -60.59 -35.63 76.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.47 ' CD2' ' HG ' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -39.79 -57.37 1.57 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.38 -38.18 12.87 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.435 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.82 -41.85 64.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.798 0.332 . . . . 0.0 111.105 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.0 mt -63.3 -46.95 94.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.519 ' HB3' ' CD1' ' A' ' 66' ' ' TYR . 13.9 mt -47.79 -32.44 6.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -89.03 -20.21 24.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -84.86 -24.05 28.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.418 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 34.8 m -124.94 -21.81 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.172 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.462 ' CA ' ' O ' ' A' ' 53' ' ' LEU . . . -124.4 177.31 5.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.113 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -134.46 121.7 21.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.531 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 3.1 tt -78.6 130.31 35.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -108.55 104.21 13.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.7 p -43.19 -26.03 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.3 tptt -49.11 -67.62 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -117.21 23.62 11.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.2 mt 43.36 33.14 0.57 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.9 p -106.29 135.72 47.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.531 ' CE1' ' HB2' ' A' ' 59' ' ' LEU . 92.1 m-85 -83.95 131.41 34.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.1 p -111.13 124.48 52.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.163 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.551 HD13 ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -61.41 122.09 14.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.475 ' N ' HD22 ' A' ' 68' ' ' LEU . 40.3 mttt -48.76 178.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.559 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 26.8 t0 -89.9 -61.47 1.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.557 ' CE1' HG22 ' A' ' 72' ' ' VAL . 2.6 p90 -48.87 -44.3 39.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.557 HG22 ' CE1' ' A' ' 71' ' ' TYR . 81.6 t -46.93 -36.25 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.15 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.577 ' CD2' ' HG3' ' A' ' 98' ' ' LYS . 26.2 m-85 -47.59 -32.48 5.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -73.21 -29.54 62.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -74.73 -24.07 58.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 64.2 mt -54.39 178.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -130.33 114.94 16.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 85.0 mtm-85 -60.97 -17.64 52.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -105.61 31.89 4.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.717 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 73.2 t-105 -71.52 125.49 91.77 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.532 0.682 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.46 ' HG2' ' CD1' ' A' ' 9' ' ' ILE . 53.8 Cg_endo -69.74 -0.26 6.64 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.697 2.265 . . . . 0.0 112.355 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -92.06 -8.08 63.53 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.555 ' CD2' ' HB3' ' A' ' 80' ' ' TRP . 24.2 m-85 -98.23 114.1 26.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.896 0.379 . . . . 0.0 110.918 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.8 m -71.52 176.73 4.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -47.91 -25.55 1.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.406 ' CD1' ' N ' ' A' ' 86' ' ' ILE . 3.0 mp -94.32 -56.88 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.198 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -41.76 -55.17 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.439 ' HG3' ' CB ' ' A' ' 83' ' ' TYR . 46.4 mtp180 -44.5 -50.1 9.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.402 ' CG ' ' O ' ' A' ' 86' ' ' ILE . 5.0 ptm180 -74.29 -19.4 60.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 t -85.03 -19.45 31.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.537 HD12 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.17 -42.33 9.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.94 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -45.84 -24.34 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.3 t -70.27 -70.39 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 97' ' ' ARG . 61.9 t -37.91 -66.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.461 HD13 ' CD2' ' A' ' 91' ' ' LEU . 14.8 mt -42.01 -39.69 1.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.2 t -71.95 -31.57 66.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 94' ' ' VAL . 8.2 mmt180 -79.92 -28.85 39.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.577 ' HG3' ' CD2' ' A' ' 73' ' ' PHE . 8.5 mmmt -93.16 -58.49 2.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 64.2 mt -68.37 94.45 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.877 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 m -132.23 119.34 20.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.906 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.2 p -80.91 -48.39 12.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.69 144.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -143.11 138.65 30.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.376 . . . . 0.0 110.821 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -151.25 136.22 17.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.36 65.94 0.4 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.482 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.0 p -144.4 171.92 13.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.75 0.31 . . . . 0.0 111.15 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.2 mm -80.29 -41.95 21.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.5 t -50.34 -53.76 26.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.836 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -44.56 -27.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -77.12 152.63 82.19 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.625 0.726 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 145.9 58.54 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.701 2.267 . . . . 0.0 112.33 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.466 ' CE2' ' HG ' ' A' ' 49' ' ' LEU . 3.4 t80 -51.98 -64.42 0.82 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.47 ' HG2' ' N ' ' A' ' 16' ' ' ASP . 25.5 ttm180 -33.19 -72.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.488 ' OD1' ' CE1' ' A' ' 20' ' ' HIS . 11.3 t0 -40.21 -56.35 1.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 -49.09 -39.5 28.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.451 ' CG1' HD13 ' A' ' 32' ' ' LEU . 64.7 t -67.05 -64.83 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.156 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.458 HG13 ' N ' ' A' ' 20' ' ' HIS . 26.9 pt -48.53 -43.76 13.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.771 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 7.7 m80 -55.13 -26.73 40.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.8 mt -89.35 -47.81 7.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.1 mt -60.26 -28.22 67.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.421 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -53.6 -64.97 0.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.07 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.9 mt -41.41 -45.7 3.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 ptmt -167.74 172.1 9.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.53 134.04 46.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.079 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -124.93 154.3 41.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -95.03 146.23 24.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.579 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.2 tptm -34.88 -55.05 0.98 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.573 0.701 . . . . 0.0 110.901 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.579 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.0 Cg_endo -69.71 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.727 2.284 . . . . 0.0 112.375 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -54.48 -63.46 1.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.469 ' CD1' HD23 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -38.44 -45.01 0.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 36' ' ' LEU . 7.9 mt -57.03 -57.34 13.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -35.81 -36.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -70.82 -46.38 62.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 33' ' ' LEU . 24.4 mt -75.91 -56.99 4.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.438 ' N ' ' CG2' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -38.85 -36.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -47.92 -59.12 3.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -76.73 -17.11 59.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.54 125.03 2.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' A' ' 37' ' ' GLN . 18.6 t -131.73 117.41 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 111.129 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -58.43 152.41 17.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -74.34 -49.46 22.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.5 ptpp? -56.24 -24.1 40.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -88.02 -34.3 18.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -44.2 -49.79 9.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -71.77 -37.23 70.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.5 m -64.9 -29.24 70.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.468 ' CD2' ' HG ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -47.29 -54.96 9.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.49 -33.08 8.11 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.42 -43.93 30.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.737 0.303 . . . . 0.0 111.135 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 45.2 mt -61.49 -42.35 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.505 ' HB3' ' CD1' ' A' ' 66' ' ' TYR . 13.3 mt -52.91 -34.89 57.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -86.71 -16.65 35.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -87.42 -25.05 23.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.4 m -123.98 -22.21 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.43 ' CA ' ' O ' ' A' ' 53' ' ' LEU . . . -124.53 177.59 5.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -134.28 127.08 31.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.522 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 4.7 tt -79.08 127.43 31.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.439 ' N ' HD23 ' A' ' 59' ' ' LEU . 12.5 t-20 -105.19 100.32 9.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 99.5 p -43.05 -24.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 60' ' ' ASN . 6.7 tttp -49.37 -67.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.16 11.54 17.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.0 mt 56.19 28.2 12.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 90.7 p -104.19 139.07 39.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.522 ' CE1' ' HB2' ' A' ' 59' ' ' LEU . 43.1 m-85 -83.66 123.52 29.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.8 p -105.67 124.46 49.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.569 HD11 ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -57.61 129.43 41.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.46 ' N ' HD22 ' A' ' 68' ' ' LEU . 29.3 mttm -51.71 -177.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.489 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 17.7 p-10 -97.98 -38.52 9.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.786 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.59 ' CE1' HG22 ' A' ' 72' ' ' VAL . 1.6 p90 -69.59 -44.81 70.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.59 HG22 ' CE1' ' A' ' 71' ' ' TYR . 49.8 t -49.77 -32.17 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.569 ' CE1' HD11 ' A' ' 68' ' ' LEU . 11.6 m-85 -47.47 -33.61 6.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -74.73 -31.18 61.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -70.81 -19.15 62.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.96 177.98 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -145.99 125.55 13.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.7 mtt85 -66.68 -17.86 65.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -80.51 -5.32 56.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.771 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 65.1 t-105 -52.72 130.27 46.51 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.589 0.709 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -26.7 27.17 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.655 2.236 . . . . 0.0 112.343 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.75 -22.92 35.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.51 ' CE2' HD13 ' A' ' 91' ' ' LEU . 17.6 m-85 -95.2 115.83 27.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.855 0.359 . . . . 0.0 110.944 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 73.6 m -74.91 -176.56 2.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -49.98 -23.41 2.0 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.452 ' O ' ' C ' ' A' ' 87' ' ' ASP . 4.5 mp -96.6 -64.37 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 86' ' ' ILE . 1.4 m-20 -34.44 -54.53 0.53 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.814 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.451 ' CZ ' ' HB3' ' A' ' 88' ' ' ARG . 14.5 mtp-105 -45.18 -51.98 9.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -72.42 -21.3 61.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 m -85.38 -16.17 40.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.51 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.01 -43.21 9.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.427 ' N ' HD23 ' A' ' 91' ' ' LEU . 19.0 pt-20 -48.99 -19.79 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.4 t -73.01 -61.81 1.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.4 t -46.31 -58.16 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.448 HD12 ' CD2' ' A' ' 91' ' ' LEU . 51.6 mt -50.71 -33.68 23.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.2 t -69.8 -42.06 74.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -69.81 -46.15 66.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.555 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 57.0 mmtt -69.97 -67.94 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 28.8 mt -65.64 93.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.889 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 p -98.43 91.71 5.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 110.885 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.1 m -42.67 151.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.33 -105.49 0.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 m -156.12 171.59 19.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.869 0.366 . . . . 0.0 110.849 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 t -69.88 -51.09 36.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.35 -142.62 11.86 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.455 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.7 p -138.04 173.27 11.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.762 0.315 . . . . 0.0 111.105 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.7 mm -84.62 -44.28 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.8 m -48.56 -50.82 30.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 47.6 mm-40 -51.45 -31.78 24.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 mmt-85 -72.37 151.21 91.94 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.623 0.725 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 150.72 68.57 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.678 2.252 . . . . 0.0 112.369 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.433 ' O ' ' C ' ' A' ' 15' ' ' ARG . 5.3 t80 -53.92 -63.87 1.01 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 14' ' ' TYR . 3.1 ttp-105 -34.19 -52.24 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.17 -55.5 30.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.449 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 44.8 mtp180 -55.35 -28.6 54.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.431 HG12 ' CD1' ' A' ' 32' ' ' LEU . 42.6 t -77.07 -59.66 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.462 HG13 ' N ' ' A' ' 20' ' ' HIS . 11.8 pt -57.96 -48.64 83.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.69 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 12.4 m80 -49.25 -28.45 4.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.447 HD13 ' CD2' ' A' ' 32' ' ' LEU . 60.0 mt -84.73 -49.28 8.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.8 mt -59.93 -30.57 69.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.469 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -46.61 -74.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.7 mt -39.24 -45.93 1.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -161.85 161.27 28.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.61 143.09 53.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -129.18 161.58 29.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.953 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -101.84 148.91 24.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.908 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.572 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -35.27 -55.28 1.07 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.615 0.722 . . . . 0.0 110.907 179.856 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.8 -50.66 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.647 2.231 . . . . 0.0 112.368 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 32' ' ' LEU . 9.4 tt0 -55.37 -64.21 0.92 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.447 ' CD2' HD13 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -37.45 -45.11 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 36' ' ' LEU . 11.5 mt -56.62 -60.15 3.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -33.65 -38.7 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.075 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 33' ' ' LEU . 6.1 mmm180 -71.46 -46.94 58.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 33' ' ' LEU . 14.2 mt -72.13 -55.9 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.46 ' NE2' ' HB ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -43.75 -35.72 1.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -48.92 -54.49 15.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.47 -27.25 58.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.72 115.84 1.63 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.46 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.46 ' HB ' ' NE2' ' A' ' 37' ' ' GLN . 22.7 t -122.54 146.12 28.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.83 0.347 . . . . 0.0 111.102 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -89.69 119.22 29.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -45.08 -29.74 0.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -71.66 -40.18 69.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.68 -28.44 61.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -46.72 -49.44 19.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -64.56 -40.75 96.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.6 p -64.81 -32.79 74.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.471 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -43.92 -55.64 4.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -50.03 -35.72 26.25 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.78 -42.0 64.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 55' ' ' GLN . 59.0 mt -64.15 -46.97 92.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.448 ' O ' ' CA ' ' A' ' 57' ' ' ALA . 15.5 mt -46.65 -34.44 5.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -87.0 -21.6 26.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' ILE . 14.8 mm-40 -84.47 -22.68 30.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.458 ' CG2' HG23 ' A' ' 19' ' ' ILE . 18.9 m -124.13 -22.76 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.448 ' CA ' ' O ' ' A' ' 53' ' ' LEU . . . -125.33 177.36 6.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.072 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -133.84 130.2 37.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.42 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 4.2 tt -79.4 130.37 35.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -106.1 98.8 8.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.7 t -39.62 -30.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -46.16 -66.86 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -116.03 15.79 16.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 40.0 mt 51.45 26.72 3.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.1 p -97.34 140.96 31.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.446 ' CD1' ' HB3' ' A' ' 53' ' ' LEU . 72.3 m-85 -88.62 117.17 27.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.9 p -100.65 125.75 47.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.568 HD11 ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -57.61 128.21 35.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.454 ' N ' HD23 ' A' ' 68' ' ' LEU . 28.9 mttm -49.57 -179.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.562 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -96.77 -40.69 8.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.572 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.5 p90 -66.6 -42.52 86.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.572 HG23 ' CE1' ' A' ' 71' ' ' TYR . 78.9 t -50.65 -34.61 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.083 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.568 ' CE1' HD11 ' A' ' 68' ' ' LEU . 18.8 m-85 -47.27 -31.4 3.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -73.73 -30.92 63.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -71.39 -31.04 66.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.438 HD22 ' CD2' ' A' ' 20' ' ' HIS . 77.7 mt -45.24 167.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -122.24 113.59 19.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.411 ' NH2' ' HA ' ' A' ' 92' ' ' GLU . 10.1 mmt180 -54.86 -25.21 27.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -98.16 30.73 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.69 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 73.1 t-105 -67.41 119.06 62.53 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.615 0.721 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -6.53 18.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.467 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -83.47 -15.24 71.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.521 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.552 ' CD2' ' HB3' ' A' ' 80' ' ' TRP . 23.2 m-85 -93.92 115.39 27.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 0.0 110.946 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.406 ' C ' ' N ' ' A' ' 86' ' ' ILE . 58.5 m -75.74 175.82 8.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -42.85 -24.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 87' ' ' ASP . 7.8 mm -92.64 -62.78 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.104 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.443 ' HB2' ' CA ' ' A' ' 83' ' ' TYR . 3.3 m-20 -36.04 -56.77 0.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -44.5 -60.17 2.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -61.07 -22.16 64.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.63 -23.05 29.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.489 ' CD1' ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.13 -35.39 13.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.411 ' HA ' ' NH2' ' A' ' 78' ' ' ARG . 13.9 pt-20 -55.64 -18.02 6.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t -88.11 -62.87 1.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.46 ' CG1' ' N ' ' A' ' 95' ' ' LEU . 3.0 p -46.3 -41.88 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.46 ' N ' ' CG1' ' A' ' 94' ' ' VAL . 84.4 mt -70.55 -24.32 62.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -79.79 -42.23 24.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -75.28 -34.95 61.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -73.6 -56.69 4.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.1 mt -77.87 94.27 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.915 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -163.29 145.28 9.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.38 . . . . 0.0 110.826 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 p -84.02 100.18 10.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.17 -99.39 0.12 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.507 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -108.73 121.43 45.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.372 . . . . 0.0 110.858 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.4 t -82.58 135.55 35.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.23 -168.5 18.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.69 177.78 4.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.78 0.324 . . . . 0.0 111.168 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.3 mm -62.99 -50.22 80.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.0 m -59.75 -36.77 77.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -68.84 -33.71 74.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.9 mmp_? -68.8 155.21 93.71 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.604 0.716 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 149.07 66.5 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.673 2.249 . . . . 0.0 112.336 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.463 ' O ' ' C ' ' A' ' 15' ' ' ARG . 6.3 t80 -48.35 -66.88 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 14' ' ' TYR . 12.6 ttp180 -33.56 -52.52 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.81 -54.2 31.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.467 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 32.6 mtp180 -58.57 -30.69 67.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.2 t -73.27 -49.36 38.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.462 HG21 ' CG2' ' A' ' 56' ' ' VAL . 17.6 pt -68.66 -33.64 60.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.733 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 9.0 m80 -65.79 -24.87 67.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.1 mt -89.5 -45.54 9.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 66.8 mt -63.4 -28.94 70.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.415 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -50.67 -68.38 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.4 mt -41.71 -50.82 4.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.9 pttt -157.94 170.14 22.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.48 135.36 44.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -125.85 147.5 49.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 29' ' ' LYS . 18.2 mttt -89.47 147.95 23.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.573 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.2 tptm -34.25 -55.3 0.84 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.504 0.669 . . . . 0.0 110.876 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.2 Cg_endo -69.78 -48.46 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -56.09 -63.57 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.455 ' CD1' HD23 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -38.53 -43.64 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.93 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 36' ' ' LEU . 8.7 mt -58.03 -59.04 5.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.448 ' O ' ' CD ' ' A' ' 38' ' ' LYS . . . -35.57 -32.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 33' ' ' LEU . 8.1 mmm180 -77.68 -45.34 25.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 33' ' ' LEU . 29.1 mt -74.96 -54.27 7.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.71 -38.92 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.448 ' CD ' ' O ' ' A' ' 34' ' ' ALA . 19.1 mtpt -47.1 -59.02 3.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -72.99 -19.26 61.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.93 122.44 2.63 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.5 t -125.76 145.8 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.824 0.345 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 -90.42 126.03 35.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -50.86 -51.96 46.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.32 -20.82 12.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -91.41 -33.91 15.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -49.84 -50.41 45.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -58.68 -36.5 74.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.3 m -73.68 -33.42 64.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.47 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -39.37 -55.45 1.74 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -49.08 -37.3 22.89 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.474 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.65 -41.05 63.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.332 . . . . 0.0 111.103 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.8 mt -62.58 -46.3 96.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.561 HD12 ' CD2' ' A' ' 66' ' ' TYR . 27.3 mt -48.3 -33.92 9.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -88.84 -17.91 28.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -86.7 -23.47 25.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.462 ' CG2' HG21 ' A' ' 19' ' ' ILE . 34.4 m -123.57 -24.28 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -126.62 177.42 6.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -126.09 133.45 51.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.466 HD23 ' N ' ' A' ' 60' ' ' ASN . 2.2 tt -78.85 132.2 36.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.466 ' N ' HD23 ' A' ' 59' ' ' LEU . 27.3 t30 -109.56 91.42 3.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 60' ' ' ASN . 2.0 m -38.51 -33.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -40.97 -68.38 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -116.84 12.68 14.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.9 mt 59.88 26.12 15.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.1 p -97.47 138.21 35.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.819 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.561 ' CD2' HD12 ' A' ' 53' ' ' LEU . 49.3 m-85 -89.56 127.54 35.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.2 p -109.22 124.4 50.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.098 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.563 HD11 ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -55.03 128.59 34.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.467 ' N ' HD22 ' A' ' 68' ' ' LEU . 30.9 mttm -51.14 -175.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.479 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 8.8 t70 -97.38 -41.3 8.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.583 ' CE1' HG21 ' A' ' 72' ' ' VAL . 1.8 p90 -67.41 -44.13 79.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.583 HG21 ' CE1' ' A' ' 71' ' ' TYR . 59.4 t -49.19 -32.83 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.147 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.563 ' CE1' HD11 ' A' ' 68' ' ' LEU . 14.6 m-85 -48.42 -32.77 8.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.27 -28.53 61.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -74.99 -23.64 58.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 61.2 mt -52.96 175.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -134.67 104.92 6.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.8 mtt180 -53.21 -16.43 1.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -98.31 19.52 14.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.733 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 74.6 t-105 -63.97 120.13 61.16 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.546 0.689 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 2.54 3.44 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.445 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -90.44 -10.84 63.25 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.54 ' CE2' HD11 ' A' ' 91' ' ' LEU . 25.0 m-85 -97.55 114.84 26.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.924 0.392 . . . . 0.0 110.886 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.5 m -67.74 179.09 1.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.855 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -49.48 -22.81 1.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.2 mp -95.64 -56.83 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.134 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.418 ' HB2' ' CA ' ' A' ' 83' ' ' TYR . 42.6 m-20 -41.76 -51.28 4.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.7 mtp-105 -48.0 -51.3 24.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -71.57 -20.64 61.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 m -84.45 -20.7 31.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.54 HD11 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.1 -37.46 12.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -54.64 -17.33 3.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 t -84.76 -63.95 1.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.523 ' CG1' ' N ' ' A' ' 95' ' ' LEU . 1.9 p -45.68 -44.88 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.523 ' N ' ' CG1' ' A' ' 94' ' ' VAL . 66.4 mt -62.36 -27.74 69.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t -80.05 -49.28 12.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -65.01 -35.79 82.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.441 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 53.4 mmtt -73.95 -55.22 6.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.9 mt -81.27 101.11 9.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.919 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.6 m120 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.916 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -160.69 177.09 10.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.873 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.3 t -81.23 105.02 12.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.801 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.31 -112.82 4.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.458 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m -83.92 170.13 14.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.2 t -135.19 140.6 45.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.75 73.46 0.6 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.529 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.9 p -91.74 170.72 9.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.835 0.35 . . . . 0.0 111.081 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.465 ' CD1' ' HG2' ' A' ' 81' ' ' PRO . 32.1 mm -87.75 -42.16 14.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.08 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.3 p -56.11 -20.06 15.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -82.64 -30.25 29.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -75.93 151.29 84.17 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.643 0.735 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 141.98 46.72 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.715 2.276 . . . . 0.0 112.315 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.467 ' O ' ' C ' ' A' ' 15' ' ' ARG . 4.4 t80 -43.83 -66.65 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.467 ' C ' ' O ' ' A' ' 14' ' ' TYR . 18.6 ttp180 -32.89 -54.36 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.73 -52.92 58.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.473 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 63.9 mtp180 -56.51 -30.43 63.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.415 ' CG1' HD13 ' A' ' 32' ' ' LEU . 70.4 t -76.11 -60.5 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.426 HG13 ' N ' ' A' ' 20' ' ' HIS . 28.3 pt -55.83 -40.39 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.587 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 12.9 m80 -58.86 -27.6 65.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.462 HD11 ' CD2' ' A' ' 32' ' ' LEU . 76.4 mt -89.31 -43.38 10.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 25' ' ' LYS . 35.5 mt -64.85 -32.71 74.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.439 ' CA ' HD11 ' A' ' 68' ' ' LEU . . . -48.67 -63.94 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.8 mt -42.0 -50.43 4.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 22' ' ' LEU . 32.2 pttt -161.56 169.85 20.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.12 133.83 47.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -124.23 153.31 41.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -95.53 147.25 23.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.574 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -34.33 -55.39 0.84 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.547 0.689 . . . . 0.0 110.883 179.886 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.4 Cg_endo -69.7 -50.37 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.688 2.259 . . . . 0.0 112.374 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 32' ' ' LEU . 10.5 tt0 -53.86 -64.66 0.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.462 ' CD2' HD11 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -36.54 -46.9 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 36' ' ' LEU . 14.3 mt -56.14 -57.38 12.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.962 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -34.82 -37.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 33' ' ' LEU . 22.2 mmt-85 -75.66 -44.51 42.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 33' ' ' LEU . 50.4 mt -74.05 -57.81 3.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.27 -35.92 0.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -45.73 -57.75 4.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.6 -17.7 57.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.15 132.62 3.67 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.446 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.2 t -138.59 118.18 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.8 0.333 . . . . 0.0 111.129 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -59.79 142.03 54.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -63.57 -38.61 91.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -66.96 -25.93 66.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -87.89 -27.07 22.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -50.48 -51.25 48.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -70.88 -38.48 73.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.6 m -63.62 -29.96 71.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.472 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -43.93 -45.11 7.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -56.85 -34.2 64.8 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.52 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.42 -45.14 66.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.75 0.309 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 52.2 mt -65.02 -42.49 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.457 ' HG ' ' CD2' ' A' ' 49' ' ' LEU . 14.1 mt -50.7 -33.12 21.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -88.98 -20.07 24.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -84.98 -27.52 26.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.8 m -118.2 -26.15 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 53' ' ' LEU . . . -124.57 177.01 6.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -129.66 133.04 46.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.462 ' HG ' ' CZ ' ' A' ' 66' ' ' TYR . 1.4 tt -79.76 134.77 36.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.408 ' N ' ' CD2' ' A' ' 59' ' ' LEU . 7.0 t-20 -109.91 103.01 11.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.7 t -46.29 -24.09 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -48.35 -69.52 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.87 25.64 7.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.454 ' N ' HD13 ' A' ' 64' ' ' LEU . 6.6 mp 51.76 34.47 13.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.4 p -99.93 129.68 46.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.462 ' CZ ' ' HG ' ' A' ' 59' ' ' LEU . 82.8 m-85 -87.23 118.48 26.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.95 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 35.8 p -101.37 125.09 47.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.482 HD13 ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -55.52 128.62 35.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.465 ' N ' HD21 ' A' ' 68' ' ' LEU . 40.2 mttt -51.72 -178.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.564 ' HA ' ' CE2' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -89.3 -68.57 0.77 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.6 ' CG ' ' N ' ' A' ' 72' ' ' VAL . 2.8 p90 -44.69 -51.19 9.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.6 ' N ' ' CG ' ' A' ' 71' ' ' TYR . 59.9 t -39.98 -31.36 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.14 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' A' ' 70' ' ' ASP . 18.2 m-85 -50.92 -43.52 59.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 75' ' ' GLU . 11.4 ptmt -62.4 -27.37 69.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 74' ' ' LYS . 23.0 mt-10 -71.54 -35.22 70.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.2 mt -46.54 169.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -136.54 114.19 11.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -57.29 -23.07 46.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -79.16 -15.84 57.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.587 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 72.2 t-105 -41.22 128.47 2.13 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.593 0.711 . . . . 0.0 110.932 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.465 ' HG2' ' CD1' ' A' ' 9' ' ' ILE . 53.8 Cg_endo -69.78 -36.39 10.83 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -44.83 -24.13 0.69 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.51 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.511 ' CE2' HD11 ' A' ' 91' ' ' LEU . 24.5 m-85 -85.83 120.96 27.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.948 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.5 m -84.43 176.9 8.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -44.08 -24.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 87' ' ' ASP . 7.6 mm -96.56 -61.9 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.101 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 86' ' ' ILE . 16.2 m-20 -34.54 -60.7 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -40.79 -59.15 1.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -64.27 -22.91 67.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 87' ' ' ASP . 1.3 t -83.6 -20.8 33.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.511 HD11 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.03 -46.32 7.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -43.31 -24.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.3 t -72.64 -60.92 2.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 71.3 t -43.49 -63.75 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 23.9 mt -47.58 -27.07 1.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.3 t -80.02 -40.05 28.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -70.88 -48.22 54.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -65.9 -69.67 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.1 mt -58.69 96.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.913 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t -96.32 56.48 1.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.852 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.3 p -122.91 171.97 8.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.81 81.97 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.509 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.1 t 51.37 32.94 9.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.899 0.381 . . . . 0.0 110.856 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -75.8 93.82 3.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.33 175.1 15.6 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.9 p -137.06 157.62 46.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.76 0.314 . . . . 0.0 111.155 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.596 ' CG2' ' NE ' ' A' ' 17' ' ' ARG . 2.7 mp -51.66 -47.86 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 t -46.66 -32.86 3.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -85.68 -22.36 27.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 9' ' ' ILE . 7.8 mmt180 -78.83 150.07 74.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.611 0.72 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 14' ' ' TYR . 53.9 Cg_endo -69.8 138.41 37.63 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.713 2.275 . . . . 0.0 112.344 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.454 ' O ' ' C ' ' A' ' 15' ' ' ARG . 4.2 t80 -34.54 -63.17 0.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 14' ' ' TYR . 11.2 ttp180 -33.39 -62.65 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -45.99 -52.73 11.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.596 ' NE ' ' CG2' ' A' ' 9' ' ' ILE . 48.1 mtp180 -59.81 -28.74 67.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.7 t -75.58 -55.3 11.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.431 HG13 ' N ' ' A' ' 20' ' ' HIS . 12.1 pt -63.46 -42.46 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.638 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 12.0 m80 -54.31 -29.2 46.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.823 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.459 HD12 ' CD2' ' A' ' 32' ' ' LEU . 77.5 mt -83.39 -48.37 10.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.435 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 38.7 mt -64.16 -27.51 69.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.459 ' CA ' HD11 ' A' ' 68' ' ' LEU . . . -50.85 -66.77 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.4 mt -41.15 -50.8 3.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 pttt -160.9 172.74 16.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.06 134.77 48.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.435 ' HB2' ' CD2' ' A' ' 22' ' ' LEU . 12.2 m-85 -125.54 154.26 42.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -96.47 148.95 22.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.904 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.587 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.0 tptm -35.95 -54.53 1.39 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 0.0 110.959 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.2 Cg_endo -69.83 -50.57 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.723 2.282 . . . . 0.0 112.282 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 32' ' ' LEU . 8.0 tt0 -55.3 -63.74 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.459 ' CD2' HD12 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -36.93 -43.9 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.946 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 36' ' ' LEU . 10.0 mt -59.88 -58.0 10.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -34.13 -35.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 33' ' ' LEU . 49.3 mmt-85 -71.45 -47.57 54.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 33' ' ' LEU . 14.6 mt -75.31 -53.93 7.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -42.49 -26.66 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -60.43 -55.78 29.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -79.29 -13.87 59.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.837 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.8 130.62 3.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 37.2 t -139.39 115.81 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.795 0.331 . . . . 0.0 111.118 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -61.3 153.78 25.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -74.98 -43.15 55.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -26.66 64.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 48' ' ' SER . 1.2 m-20 -86.68 -38.11 17.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -38.64 -41.0 0.65 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -78.88 -37.14 40.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 45' ' ' ASP . 50.1 m -65.54 -22.85 66.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.805 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.463 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -54.36 -59.38 4.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.87 -31.77 4.24 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.448 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.81 -43.05 31.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.744 0.307 . . . . 0.0 111.094 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.0 mt -63.27 -42.32 95.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.46 ' HB3' ' CD1' ' A' ' 66' ' ' TYR . 14.7 mt -50.65 -33.29 21.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -88.8 -21.84 23.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -82.65 -24.59 33.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.8 m -123.39 -25.37 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.447 ' CA ' ' O ' ' A' ' 53' ' ' LEU . . . -123.12 177.28 5.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -130.92 131.03 44.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.465 HD21 ' N ' ' A' ' 60' ' ' ASN . 2.4 tt -78.55 129.94 35.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.497 ' O ' ' N ' ' A' ' 62' ' ' LYS . 2.1 t-20 -107.64 86.04 2.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 60' ' ' ASN . 10.9 t -34.7 -32.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 60' ' ' ASN . 1.2 tppp? -43.2 -67.22 0.29 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -116.09 16.81 15.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.2 mt 52.3 32.3 10.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.5 p -105.03 133.04 50.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.46 ' CD1' ' HB3' ' A' ' 53' ' ' LEU . 48.4 m-85 -84.58 121.97 28.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.933 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.8 p -103.94 124.69 49.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.471 HD23 ' CG1' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -59.1 126.93 29.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -50.08 179.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.834 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.559 ' HA ' ' CE2' ' A' ' 73' ' ' PHE . 18.0 t70 -91.27 -60.56 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.557 ' CG ' ' N ' ' A' ' 72' ' ' VAL . 2.3 p90 -48.64 -48.6 39.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.557 ' N ' ' CG ' ' A' ' 71' ' ' TYR . 54.5 t -42.77 -37.54 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.559 ' CE2' ' HA ' ' A' ' 70' ' ' ASP . 19.3 m-85 -44.91 -39.92 5.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -66.4 -31.05 71.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 72' ' ' VAL . 16.1 mt-10 -72.37 -28.33 62.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.4 mt -42.86 166.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -126.65 101.86 6.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 92' ' ' GLU . 7.0 mmm180 -50.06 -22.27 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -95.34 25.71 4.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.638 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 70.4 t-105 -65.1 119.68 60.78 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 121.575 0.702 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.431 ' C ' HD11 ' A' ' 9' ' ' ILE . 53.6 Cg_endo -69.79 3.4 2.81 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.315 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.433 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -98.02 5.65 61.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.465 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.572 ' CD2' ' HB3' ' A' ' 80' ' ' TRP . 21.5 m-85 -108.58 119.6 39.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.909 0.385 . . . . 0.0 110.939 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.406 ' N ' ' HB2' ' A' ' 87' ' ' ASP . 3.5 m -76.99 -176.33 3.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -51.71 -29.83 19.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.409 ' N ' ' CD1' ' A' ' 86' ' ' ILE . 3.4 mp -92.24 -56.9 4.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 90' ' ' SER . 19.4 m-20 -36.64 -61.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -39.83 -58.29 1.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -65.76 -21.24 66.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 87' ' ' ASP . 1.2 t -81.66 -20.8 38.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.499 HD12 ' CZ ' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.14 -45.04 8.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.419 ' HB3' ' NH1' ' A' ' 78' ' ' ARG . 9.2 pt-20 -44.65 -22.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.4 ' N ' ' C ' ' A' ' 91' ' ' LEU . 36.8 t -74.09 -64.71 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.862 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 73.5 t -38.66 -59.15 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.3 mt -50.02 -39.23 40.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 42.5 t -65.65 -35.07 79.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 -75.15 -49.75 18.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.53 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 68.0 mmtt -69.3 -71.9 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.93 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 100' ' ' ASN . 17.8 mt -56.68 94.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 99' ' ' LEU . 3.2 t-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.0 p -124.67 128.91 49.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 0.0 110.834 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.0 p -174.47 176.58 2.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.91 -166.82 30.36 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.543 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 m 59.17 44.54 15.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.875 0.369 . . . . 0.0 110.852 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.7 m -50.76 108.71 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.4 141.77 7.79 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.2 p -136.59 158.29 44.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.76 0.314 . . . . 0.0 111.157 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.6 mm -71.71 -40.34 69.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.6 m -52.65 -45.84 66.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -55.67 -29.92 60.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -70.63 152.89 95.22 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.598 0.713 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 133.99 26.91 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.643 2.229 . . . . 0.0 112.336 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.461 ' O ' ' C ' ' A' ' 15' ' ' ARG . 5.9 t80 -42.17 -63.55 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 14' ' ' TYR . 17.8 ttp180 -33.37 -54.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.95 -57.92 9.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.816 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.45 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 38.3 mtp180 -49.13 -32.02 9.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.415 ' CG1' HD13 ' A' ' 32' ' ' LEU . 89.4 t -74.38 -65.68 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.461 HG22 ' CG2' ' A' ' 56' ' ' VAL . 21.8 pt -49.96 -42.58 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.652 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 14.5 m80 -54.84 -27.01 39.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.0 mt -89.04 -42.73 11.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.5 mt -64.37 -32.09 73.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.465 ' CA ' HD11 ' A' ' 68' ' ' LEU . . . -49.93 -69.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.158 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.3 mt -38.54 -45.01 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.976 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.6 pttt -167.23 166.08 15.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.23 137.15 52.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.091 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -125.57 155.47 40.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -95.31 155.86 16.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.569 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -41.94 -55.59 5.95 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.584 0.707 . . . . 0.0 110.871 179.865 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.77 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.72 2.28 . . . . 0.0 112.343 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 32' ' ' LEU . 20.2 tt0 -53.91 -65.34 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 31' ' ' GLU . 0.8 OUTLIER -35.07 -45.81 0.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' ARG . 14.6 mt -59.05 -56.57 20.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.415 ' O ' ' CD ' ' A' ' 38' ' ' LYS . . . -37.37 -29.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 33' ' ' LEU . 18.6 mmt180 -79.24 -48.28 14.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.45 ' CD2' ' HB3' ' A' ' 17' ' ' ARG . 15.1 mt -73.37 -54.18 8.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.41 ' NE2' ' HB ' ' A' ' 41' ' ' VAL . 0.3 OUTLIER -42.9 -34.69 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.415 ' CD ' ' O ' ' A' ' 34' ' ' ALA . 20.0 mtpt -50.28 -58.66 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -75.42 -14.06 60.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.95 131.42 3.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.41 ' HB ' ' NE2' ' A' ' 37' ' ' GLN . 45.0 t -138.44 119.72 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 0.0 111.122 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -66.38 156.7 33.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -70.74 -45.44 64.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -29.8 61.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -83.19 -37.21 23.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -46.1 -41.98 13.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -73.7 -41.54 62.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.8 m -63.46 -31.48 72.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.464 HD11 ' CE ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -45.33 -66.86 0.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.448 ' N ' ' NZ ' ' A' ' 29' ' ' LYS . . . -43.92 -32.44 2.29 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.42 -38.35 34.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.806 0.336 . . . . 0.0 111.144 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 76.1 mt -67.68 -42.55 86.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.443 ' CD2' HD12 ' A' ' 32' ' ' LEU . 13.6 mt -50.3 -35.92 29.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -87.42 -18.04 30.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.413 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 29.0 mm-40 -87.12 -23.76 24.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.461 ' CG2' HG22 ' A' ' 19' ' ' ILE . 23.6 m -122.3 -23.94 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -125.28 176.71 6.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -127.82 128.34 45.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.515 ' HG ' ' CZ ' ' A' ' 66' ' ' TYR . 1.3 tt -78.69 133.83 37.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 64' ' ' LEU . 28.0 t30 -112.22 102.06 10.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.1 t -45.19 -36.14 3.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.4 tptp -41.79 -68.45 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -114.54 21.04 14.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 60' ' ' ASN . 18.4 mt 45.29 31.76 0.88 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.6 p -100.33 146.1 27.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.515 ' CZ ' ' HG ' ' A' ' 59' ' ' LEU . 68.8 m-85 -98.17 119.4 36.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.0 p -102.98 125.3 49.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.163 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.554 HD13 ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -56.03 129.41 39.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.468 ' N ' HD22 ' A' ' 68' ' ' LEU . 28.9 mttm -51.29 -176.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.422 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 5.3 p-10 -97.35 -44.71 6.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.575 ' CE1' HG22 ' A' ' 72' ' ' VAL . 1.8 p90 -64.89 -42.16 95.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.969 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.575 HG22 ' CE1' ' A' ' 71' ' ' TYR . 64.6 t -50.13 -34.33 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.554 ' CE1' HD13 ' A' ' 68' ' ' LEU . 16.5 m-85 -48.7 -30.7 5.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.404 ' NZ ' ' HB3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -74.48 -29.09 61.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -72.44 -32.45 66.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 73.3 mt -44.46 163.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -121.19 104.25 9.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.403 ' NH1' ' HB3' ' A' ' 92' ' ' GLU . 6.9 mmm180 -48.49 -28.77 3.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -90.88 27.54 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.652 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 74.0 t-105 -67.34 121.61 79.47 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.533 0.683 . . . . 0.0 110.939 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -4.56 14.29 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.647 2.231 . . . . 0.0 112.363 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.456 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -86.24 -1.15 86.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.54 ' CD2' ' HB3' ' A' ' 80' ' ' TRP . 23.2 m-85 -108.25 114.13 27.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.91 0.386 . . . . 0.0 110.927 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.4 m -72.92 177.22 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.897 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -44.99 -23.32 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.468 ' N ' ' CD1' ' A' ' 86' ' ' ILE . 2.6 mp -94.88 -64.26 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 86' ' ' ILE . 1.4 m-20 -33.9 -55.45 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.8 mtp85 -44.42 -56.07 4.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -67.51 -21.16 65.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 m -84.38 -21.84 30.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.797 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.519 ' CD1' ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.06 -37.24 12.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.403 ' HB3' ' NH1' ' A' ' 78' ' ' ARG . 7.1 pt-20 -53.7 -18.35 3.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 96' ' ' SER . 8.9 t -78.48 -68.7 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 98.4 t -36.69 -60.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.129 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 52.4 mt -51.93 -35.07 44.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 93' ' ' SER . 12.0 t -72.34 -26.59 61.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 97' ' ' ARG . 8.1 mtp-105 -90.98 -21.45 21.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -93.23 -60.94 1.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.21 93.75 0.64 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.951 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 43.52 45.48 5.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.35 . . . . 0.0 110.874 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.4 p -108.2 111.54 23.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.92 -154.3 21.46 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.469 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.6 m -83.94 -74.53 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 0.0 110.832 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.7 p -53.39 117.66 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.63 -73.53 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.503 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.36 176.17 8.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.732 0.301 . . . . 0.0 111.145 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.402 ' CD1' ' HG2' ' A' ' 81' ' ' PRO . 34.9 mm -59.34 -55.48 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.5 p -51.67 -32.04 28.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.417 ' NE2' ' HA ' ' A' ' 11' ' ' GLN . 6.3 mm-40 -70.78 -27.05 63.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -73.16 153.61 90.53 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.612 0.72 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 14' ' ' TYR . 53.4 Cg_endo -69.83 128.3 15.76 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.3 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.504 ' CE2' ' HB3' ' A' ' 45' ' ' ASP . 4.1 t80 -34.36 -65.1 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 14' ' ' TYR . 22.0 ttt-85 -33.7 -58.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.445 ' OD1' ' NH1' ' A' ' 15' ' ' ARG . 0.7 OUTLIER -49.14 -54.05 18.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.467 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 44.4 mtp180 -54.91 -32.43 61.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.4 t -72.18 -62.9 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.445 HG13 ' N ' ' A' ' 20' ' ' HIS . 25.7 pt -54.95 -42.1 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.187 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.767 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 9.5 m80 -56.21 -23.31 34.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.3 mt -90.36 -51.97 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 25' ' ' LYS . 13.1 mt -59.3 -30.45 68.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.461 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -48.81 -64.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.9 mt -45.75 -45.41 14.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.406 ' HE2' ' CZ ' ' A' ' 27' ' ' TYR . 25.1 pttt -164.82 168.44 17.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.48 139.75 51.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.406 ' CZ ' ' HE2' ' A' ' 25' ' ' LYS . 14.7 m-85 -129.83 156.69 43.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -97.46 149.53 22.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.596 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.3 tptm -36.67 -53.99 1.73 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.544 0.688 . . . . 0.0 110.92 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.2 Cg_endo -69.77 -49.89 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.384 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -56.93 -64.21 0.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -38.89 -43.75 0.98 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 36' ' ' LEU . 9.4 mt -55.96 -63.06 1.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -32.15 -52.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.49 ' HA ' ' CE ' ' A' ' 38' ' ' LYS . 12.9 mmt180 -51.5 -46.34 63.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 33' ' ' LEU . 9.5 mt -76.93 -54.32 6.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.464 ' N ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -47.43 -26.73 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.49 ' CE ' ' HA ' ' A' ' 35' ' ' ARG . 29.7 mtmt -51.98 -45.91 64.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.01 -27.4 22.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.06 109.49 1.21 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.449 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 37' ' ' GLN . 12.4 t -108.42 137.63 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.323 . . . . 0.0 111.137 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -76.4 153.47 35.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -63.79 -51.88 62.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.8 pttt -52.07 -29.52 21.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.504 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 13.1 m-20 -79.45 -35.81 39.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.4 mtpt -57.5 -41.25 80.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -82.97 -29.9 28.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.4 m -89.35 7.8 33.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.46 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 1.0 OUTLIER -74.57 -68.82 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 49' ' ' LEU . . . -35.87 -31.85 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . -72.6 -48.36 40.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 0.0 111.117 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 49' ' ' LEU . 81.9 mt -59.32 -45.14 93.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.469 HD13 ' CE2' ' A' ' 66' ' ' TYR . 37.3 mt -51.29 -36.9 44.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -86.33 -12.86 48.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.412 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 6.5 mm100 -92.58 -22.72 19.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.7 m -124.95 -21.82 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -126.19 177.35 6.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -129.83 128.31 42.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.429 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 2.1 tt -79.34 139.19 37.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.418 ' N ' ' CD2' ' A' ' 59' ' ' LEU . 36.2 t30 -118.37 96.57 5.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m -40.47 -36.6 0.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.44 -65.99 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -117.57 23.08 11.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.0 mt 41.76 37.19 0.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.9 p -106.83 141.2 38.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.469 ' CE2' HD13 ' A' ' 53' ' ' LEU . 48.1 m-85 -93.17 122.76 35.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.0 p -105.53 124.76 50.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.125 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.566 HD11 ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -57.75 127.59 32.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.47 ' N ' HD23 ' A' ' 68' ' ' LEU . 31.5 mttm -49.7 -179.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.557 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 14.2 p-10 -97.49 -39.13 9.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.575 ' CE1' HG21 ' A' ' 72' ' ' VAL . 1.5 p90 -67.63 -38.47 83.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.575 HG21 ' CE1' ' A' ' 71' ' ' TYR . 70.5 t -56.85 -30.36 32.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.566 ' CE1' HD11 ' A' ' 68' ' ' LEU . 14.6 m-85 -50.7 -29.21 10.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -77.72 -32.2 52.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -70.87 -29.51 65.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.7 mt -47.17 171.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -138.61 114.25 9.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 85.7 mtm-85 -58.87 -25.99 63.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -76.06 -0.18 20.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.767 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 70.7 t-105 -54.4 121.86 34.54 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.544 0.688 . . . . 0.0 110.913 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.402 ' HG2' ' CD1' ' A' ' 9' ' ' ILE . 53.7 Cg_endo -69.78 -25.01 28.95 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -58.81 -17.99 37.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.445 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.557 ' CE2' HD12 ' A' ' 91' ' ' LEU . 25.4 m-85 -91.14 116.89 29.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.912 0.387 . . . . 0.0 110.881 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.464 ' N ' ' HB2' ' A' ' 87' ' ' ASP . 41.1 m -71.61 -176.14 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -55.46 -24.96 33.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.494 ' N ' ' CD1' ' A' ' 86' ' ' ILE . 1.9 mp -96.29 -43.25 12.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.464 ' HB2' ' N ' ' A' ' 84' ' ' SER . 4.8 m-20 -51.94 -56.57 13.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -44.04 -49.96 8.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -73.06 -23.18 60.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 t -80.67 -19.0 46.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.557 HD12 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.07 -49.44 6.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.918 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -41.13 -29.2 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.6 t -65.89 -67.62 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 97' ' ' ARG . 88.6 t -39.17 -64.36 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 57.2 mt -40.53 -40.17 1.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.9 t -68.98 -40.59 78.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 94' ' ' VAL . 9.4 mmm180 -65.58 -35.96 82.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -85.67 -66.32 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.0 mt -65.76 92.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.409 ' C ' ' OD1' ' A' ' 100' ' ' ASN . 30.0 t-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 m -137.11 172.11 13.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 110.849 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 t -92.4 -43.12 9.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.31 117.87 3.58 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.426 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.9 m -79.5 149.05 31.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.89 0.376 . . . . 0.0 110.821 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -108.16 149.37 28.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.46 76.89 0.49 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.8 p -100.62 163.09 12.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.753 0.311 . . . . 0.0 111.128 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.7 mm -87.15 -35.74 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 t -55.83 -58.77 6.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -42.13 -35.39 0.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.947 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -69.4 147.34 96.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.59 0.71 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 146.51 60.53 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.249 . . . . 0.0 112.339 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.429 ' O ' ' C ' ' A' ' 15' ' ' ARG . 3.2 t80 -42.75 -64.09 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 14' ' ' TYR . 12.0 ttp180 -35.77 -63.75 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -43.41 -56.5 3.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.427 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 26.3 mtp180 -53.38 -33.56 54.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.434 ' CG1' HD11 ' A' ' 32' ' ' LEU . 69.7 t -75.0 -63.94 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.405 HG13 ' CD2' ' A' ' 76' ' ' LEU . 8.7 pt -50.23 -39.38 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.565 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 12.6 m80 -61.86 -24.93 67.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 76.1 mt -89.63 -44.03 10.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.5 mt -65.44 -30.25 71.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.972 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.464 ' CA ' HD13 ' A' ' 68' ' ' LEU . . . -49.73 -61.18 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.066 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.486 ' CD1' ' OD2' ' A' ' 87' ' ' ASP . 15.3 mt -46.61 -47.43 19.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 pttt -163.62 169.88 17.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.1 138.49 49.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -127.9 155.96 43.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.82 149.55 22.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.595 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.2 tptm -37.52 -54.08 2.24 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.557 0.694 . . . . 0.0 110.904 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.4 Cg_endo -69.78 -51.1 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.656 2.238 . . . . 0.0 112.366 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 32' ' ' LEU . 36.4 tt0 -55.39 -64.13 0.94 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.434 HD11 ' CG1' ' A' ' 18' ' ' VAL . 1.0 OUTLIER -36.27 -44.18 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.94 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 35' ' ' ARG . 16.1 mt -60.45 -56.34 22.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -37.73 -27.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 33' ' ' LEU . 21.8 mmt180 -82.73 -48.61 10.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 38' ' ' LYS . 12.2 mt -73.23 -53.53 10.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.432 ' NE2' ' HB ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -38.57 -27.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 36' ' ' LEU . 18.8 mtpp -65.18 -52.97 51.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -68.96 -16.13 63.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.91 102.13 2.23 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.432 ' HB ' ' NE2' ' A' ' 37' ' ' GLN . 15.5 t -106.75 149.52 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.36 . . . . 0.0 111.099 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -96.94 130.35 44.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -52.24 -39.24 60.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.8 pttt -64.02 -31.32 72.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -84.01 -33.23 24.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -43.63 -40.36 4.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -77.13 -40.25 46.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.1 p -64.85 -28.74 69.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.46 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -45.03 -60.67 1.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -43.96 -40.91 5.77 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.505 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.66 -46.16 76.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.767 0.318 . . . . 0.0 111.089 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 55' ' ' GLN . 70.5 mt -60.56 -49.32 84.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.179 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.506 ' HB3' ' CD1' ' A' ' 66' ' ' TYR . 33.6 mt -43.73 -33.08 1.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -88.87 -23.69 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 52' ' ' ILE . 23.5 mt-30 -79.69 -23.73 42.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 36.0 m -124.37 -23.04 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 53' ' ' LEU . . . -125.11 177.38 6.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -129.65 130.06 45.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tt -78.61 137.45 37.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -117.53 95.52 4.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.5 m -39.37 -35.18 0.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -41.06 -68.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -117.33 27.46 9.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 21.9 mt 39.47 40.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 86.8 p -110.21 145.25 37.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.819 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.506 ' CD1' ' HB3' ' A' ' 53' ' ' LEU . 48.4 m-85 -95.86 122.68 38.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.2 p -104.68 124.65 49.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.562 HD12 ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -58.07 128.42 37.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.473 ' N ' HD23 ' A' ' 68' ' ' LEU . 30.3 mttm -51.07 -178.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.531 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 3.6 t0 -97.25 -39.42 9.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.561 ' CE1' HG21 ' A' ' 72' ' ' VAL . 1.5 p90 -67.3 -42.15 84.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.883 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.561 HG21 ' CE1' ' A' ' 71' ' ' TYR . 66.0 t -51.87 -32.98 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.562 ' CE1' HD12 ' A' ' 68' ' ' LEU . 15.6 m-85 -48.42 -32.86 8.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -73.88 -30.6 62.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -73.99 -25.16 59.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.405 ' CD2' HG13 ' A' ' 19' ' ' ILE . 69.8 mt -50.23 178.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -135.99 120.42 18.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.6 mtm180 -63.57 -28.13 69.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -91.15 27.45 1.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.565 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 74.2 t-105 -70.39 120.88 81.31 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.552 0.691 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -1.35 8.32 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.298 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.464 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -87.93 -8.31 72.85 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.484 ' CE2' ' CD1' ' A' ' 91' ' ' LEU . 25.0 m-85 -101.61 114.86 29.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.0 110.934 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.5 m -67.58 177.26 2.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -47.8 -28.23 2.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.8 mp -90.1 -56.78 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.168 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.486 ' OD2' ' CD1' ' A' ' 24' ' ' LEU . 4.4 m-20 -39.4 -56.67 1.54 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.828 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -43.13 -49.75 6.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -76.49 -17.06 59.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 87' ' ' ASP . 1.8 t -87.99 -18.93 27.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.484 ' CD1' ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.01 -32.77 15.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.465 ' N ' HD21 ' A' ' 91' ' ' LEU . 15.7 pt-20 -58.04 -13.26 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.3 t -82.62 -61.74 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 97' ' ' ARG . 69.7 t -43.34 -61.88 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.149 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.5 mt -42.8 -44.27 4.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.7 t -65.62 -33.34 75.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 94' ' ' VAL . 11.2 mmm180 -72.83 -37.36 67.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.555 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 51.9 mmtt -86.86 -67.42 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 34.2 mt -61.49 95.38 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.932 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -111.09 166.72 10.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.805 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.9 p -169.5 114.9 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.48 -112.23 2.81 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.511 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t 68.35 46.78 1.03 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.887 0.375 . . . . 0.0 110.878 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.1 m -138.34 142.44 39.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.35 81.2 1.51 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.53 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -111.74 174.7 5.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.76 0.314 . . . . 0.0 111.144 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.0 mm -60.23 -54.94 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 87.6 p -51.85 -36.99 50.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -64.02 -33.14 75.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.443 ' HG3' ' CZ3' ' A' ' 80' ' ' TRP . 39.8 mmt180 -67.96 153.19 95.66 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.628 0.727 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 136.34 32.76 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.688 2.259 . . . . 0.0 112.377 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.475 ' CD2' ' HB3' ' A' ' 45' ' ' ASP . 5.6 t80 -40.24 -64.2 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.971 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 14' ' ' TYR . 18.2 ttm180 -33.73 -54.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.76 -54.13 48.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -53.44 -28.72 31.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.3 t -77.81 -63.24 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.471 ' CG1' ' N ' ' A' ' 20' ' ' HIS . 9.5 pt -53.88 -45.2 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.564 ' CD2' ' CG ' ' A' ' 80' ' ' TRP . 14.0 m80 -53.6 -29.51 38.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.6 mt -82.72 -49.52 9.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 46.4 mt -60.42 -28.88 68.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.409 ' CA ' HD11 ' A' ' 68' ' ' LEU . . . -50.97 -66.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.3 mt -41.86 -51.49 4.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.6 pttt -159.94 170.15 21.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.89 134.41 48.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.056 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -125.32 153.08 43.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 29' ' ' LYS . 25.0 mttt -96.67 148.59 22.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.579 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.2 tptm -34.73 -54.99 0.95 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.6 0.714 . . . . 0.0 110.876 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.579 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.8 Cg_endo -69.7 -50.76 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.329 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 32' ' ' LEU . 10.5 tt0 -55.22 -63.96 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 31' ' ' GLU . 0.9 OUTLIER -37.74 -44.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.928 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 36' ' ' LEU . 13.6 mt -58.8 -57.71 11.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -32.8 -39.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 33' ' ' LEU . 16.3 mmm180 -70.97 -49.15 48.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 33' ' ' LEU . 8.6 mt -67.85 -54.59 17.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.429 ' NE2' ' HB ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -50.04 -38.47 37.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.957 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -49.8 -48.5 50.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -84.6 -19.53 32.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.41 119.21 2.22 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.481 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.429 ' HB ' ' NE2' ' A' ' 37' ' ' GLN . 18.4 t -127.63 132.24 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.338 . . . . 0.0 111.137 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -86.69 131.85 34.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -43.37 -53.33 5.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.6 pttt -46.99 -35.44 6.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.475 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 15.8 m-20 -84.09 -42.3 16.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.824 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -26.56 68.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -80.27 -35.08 36.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 m -93.69 12.27 26.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.468 HD23 ' CD1' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -66.1 -66.33 0.56 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 49' ' ' LEU . . . -35.95 -35.13 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.486 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.42 -50.77 28.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.751 0.31 . . . . 0.0 111.082 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.9 mt -55.64 -44.52 77.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.163 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.512 HD13 ' CE2' ' A' ' 66' ' ' TYR . 15.0 mt -51.69 -37.21 49.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.52 -13.22 49.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -93.48 -22.61 18.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.471 ' CG2' HG22 ' A' ' 19' ' ' ILE . 19.9 m -122.51 -26.96 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -124.2 177.34 5.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -128.41 130.97 48.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.461 HD23 ' N ' ' A' ' 60' ' ' ASN . 2.9 tt -78.7 129.19 34.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 62' ' ' LYS . 3.4 t-20 -106.26 85.6 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 60' ' ' ASN . 35.1 t -34.25 -34.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 60' ' ' ASN . 32.3 tptt -43.27 -64.34 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -116.22 17.33 15.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.812 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.1 mt 48.8 35.0 5.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.8 p -108.47 137.49 46.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.512 ' CE2' HD13 ' A' ' 53' ' ' LEU . 46.7 m-85 -87.96 123.1 32.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.911 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 47.7 p -106.52 124.49 49.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.577 HD13 ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -55.65 126.51 25.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.901 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -49.82 -179.05 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.486 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 21.6 m-20 -94.88 -42.94 8.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.592 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.7 p90 -64.14 -45.15 89.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.592 HG23 ' CE1' ' A' ' 71' ' ' TYR . 60.0 t -48.27 -38.31 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.577 ' CE1' HD13 ' A' ' 68' ' ' LEU . 14.5 m-85 -43.58 -37.59 2.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.436 ' NZ ' ' HB2' ' A' ' 71' ' ' TYR . 5.3 ptpp? -69.78 -32.88 71.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 72' ' ' VAL . 30.4 mt-10 -69.35 -30.34 68.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 93.2 mt -41.31 162.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 80' ' ' TRP . 27.2 mt-30 -119.01 100.26 7.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.933 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.5 mtm-85 -45.82 -22.99 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -96.3 27.22 3.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.566 ' HB3' ' CD2' ' A' ' 83' ' ' TYR . 69.7 t-105 -69.12 115.5 32.51 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.568 0.699 . . . . 0.0 110.91 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -1.24 8.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.732 2.288 . . . . 0.0 112.328 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.47 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -92.72 17.16 58.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.566 ' CD2' ' HB3' ' A' ' 80' ' ' TRP . 22.0 m-85 -119.91 114.04 21.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.865 0.364 . . . . 0.0 110.939 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 70.0 m -65.75 167.89 8.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -42.88 -25.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 10.5 mm -92.81 -58.18 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -39.85 -54.52 2.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -45.42 -55.09 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -67.94 -21.94 65.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.5 m -82.94 -21.46 34.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.506 HD11 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.02 -42.63 9.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.948 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.457 ' N ' HD21 ' A' ' 91' ' ' LEU . 7.1 pt-20 -47.03 -22.76 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 96' ' ' SER . 35.9 t -80.61 -60.15 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.803 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 84.4 t -39.92 -47.44 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.164 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 30.8 mt -61.11 -35.56 77.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 93' ' ' SER . 12.3 t -71.57 -39.73 70.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.2 mtp85 -68.59 -50.43 51.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.401 ' HG3' ' CD2' ' A' ' 73' ' ' PHE . 61.4 mmtt -64.01 -67.85 0.4 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.1 mt -60.02 94.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.5 p30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.88 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -86.56 159.94 19.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.369 . . . . 0.0 110.848 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.7 t -159.55 156.99 29.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.48 -142.22 13.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -146.22 128.53 15.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.829 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 m -68.19 140.72 56.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.06 -167.25 41.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.456 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.2 p -132.66 175.4 9.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.787 0.327 . . . . 0.0 111.159 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.3 mm -95.91 -48.88 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.9 t -47.53 -45.55 26.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -54.02 -32.61 54.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 46.1 mmt-85 -71.74 152.09 93.39 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.574 0.702 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 142.11 47.11 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.729 2.286 . . . . 0.0 112.327 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.459 ' O ' ' C ' ' A' ' 15' ' ' ARG . 5.9 t80 -47.53 -64.75 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 14' ' ' TYR . 14.0 ttm180 -33.58 -50.01 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -58.48 -59.44 5.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -49.59 -28.86 6.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.2 t -76.31 -62.13 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.463 HG13 ' N ' ' A' ' 20' ' ' HIS . 19.9 pt -53.96 -45.67 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.559 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 23.4 m80 -52.88 -28.55 23.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.2 mt -86.05 -42.85 13.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.948 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.444 HD13 ' CB ' ' A' ' 57' ' ' ALA . 62.1 mt -64.87 -32.15 73.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.976 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.469 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -51.35 -69.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.099 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 23' ' ' ALA . 18.9 mt -37.7 -43.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.8 pttt -170.1 167.71 8.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.34 135.82 50.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -124.81 153.13 42.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 29' ' ' LYS . 1.1 mptt -95.38 150.3 20.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.578 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -36.96 -54.97 1.7 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.625 0.726 . . . . 0.0 110.897 179.892 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.5 Cg_endo -69.84 -50.57 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.693 2.262 . . . . 0.0 112.326 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 32' ' ' LEU . 19.9 tt0 -53.74 -65.01 0.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.433 ' CD1' HD21 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -36.9 -47.3 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 36' ' ' LEU . 12.6 mt -55.03 -57.61 11.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -34.58 -39.35 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.081 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -71.23 -44.94 64.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 33' ' ' LEU . 11.2 mt -73.52 -57.31 4.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.49 -30.14 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.8 mttt -56.21 -55.31 34.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -75.35 -26.47 58.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.61 119.94 2.09 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.1 t -122.78 139.2 50.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.828 0.347 . . . . 0.0 111.111 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -87.63 125.09 34.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -46.57 -43.22 17.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -61.3 -28.53 69.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -84.09 -30.25 26.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.817 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.7 mtmt -50.76 -33.23 22.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -76.77 -35.73 57.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 99.2 p -73.05 -31.88 64.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.515 ' CD2' ' C ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -44.96 -58.69 2.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.469 ' N ' ' HZ3' ' A' ' 29' ' ' LYS . . . -51.12 -37.89 38.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.47 -41.78 68.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.747 0.308 . . . . 0.0 111.086 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' GLN . 49.5 mt -63.56 -47.55 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.473 ' HB3' ' CD1' ' A' ' 66' ' ' TYR . 18.8 mt -45.32 -37.59 4.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -85.81 -19.41 30.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 52' ' ' ILE . 15.2 mm100 -84.91 -24.03 28.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.5 m -123.36 -23.37 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -123.36 177.1 5.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -131.54 127.12 36.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.517 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 2.6 tt -81.39 132.75 35.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 61' ' ' SER . 4.8 t-20 -109.3 94.27 4.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 60' ' ' ASN . 58.4 m -35.6 -35.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 60' ' ' ASN . 26.0 tttt -41.67 -68.65 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -111.99 8.4 20.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 26.9 mt 57.44 27.56 14.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 96.6 p -97.45 139.75 32.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.517 ' CE1' ' HB2' ' A' ' 59' ' ' LEU . 67.7 m-85 -91.78 117.04 29.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 42.2 p -102.73 125.02 49.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.14 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.573 HD11 ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -54.77 130.53 41.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.457 ' N ' HD21 ' A' ' 68' ' ' LEU . 28.2 mttm -52.56 -175.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.464 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 63.9 m-20 -97.36 -44.45 6.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.573 ' CE1' HG21 ' A' ' 72' ' ' VAL . 1.9 p90 -64.9 -43.4 93.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.573 HG21 ' CE1' ' A' ' 71' ' ' TYR . 58.0 t -49.08 -33.48 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.122 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CE1' HD11 ' A' ' 68' ' ' LEU . 16.1 m-85 -49.4 -31.59 9.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -74.9 -28.03 60.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -74.55 -28.58 61.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 76.2 mt -46.65 173.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.952 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' A' ' 80' ' ' TRP . 49.8 mt-30 -129.9 103.58 6.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -48.04 -25.53 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -91.47 25.63 2.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.559 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 70.5 t-105 -67.77 117.57 49.37 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.54 0.686 . . . . 0.0 110.886 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -11.64 31.24 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.96 -4.42 82.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.516 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.533 ' CD2' ' HB3' ' A' ' 80' ' ' TRP . 23.9 m-85 -103.09 114.04 28.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 110.97 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.9 m -71.74 -177.09 1.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -50.92 -22.82 2.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.429 ' O ' ' C ' ' A' ' 87' ' ' ASP . 2.9 mp -95.23 -64.13 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 86' ' ' ILE . 9.0 m-20 -34.57 -55.84 0.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.3 mtp-105 -44.68 -57.16 3.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -65.52 -21.15 66.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 m -83.55 -22.95 32.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.52 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.01 -45.63 8.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.925 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.401 ' N ' HD22 ' A' ' 91' ' ' LEU . 17.8 pt-20 -41.95 -34.75 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.83 -52.66 16.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.8 t -46.07 -57.45 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.093 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 31.4 mt -56.24 -31.34 63.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 44.0 t -72.49 -42.58 64.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -72.76 -28.4 62.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.808 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -85.75 -62.69 1.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.6 mt -71.04 96.51 1.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.8 m120 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.893 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 t -58.63 -56.19 25.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 110.791 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 t 50.21 43.6 26.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.2 122.11 0.99 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.521 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -93.98 85.9 4.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.376 . . . . 0.0 110.854 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 m -75.9 121.33 22.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.79 74.32 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.9 p -103.54 167.41 9.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.761 0.315 . . . . 0.0 111.161 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.0 mm -79.0 -46.02 23.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.8 t -48.74 -57.1 6.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.916 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -45.67 -36.64 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.8 mmt-85 -68.2 152.34 96.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.716 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.401 ' HG2' ' CG ' ' A' ' 16' ' ' ASP . 54.2 Cg_endo -69.75 149.33 66.83 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.388 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.443 ' O ' ' C ' ' A' ' 15' ' ' ARG . 4.4 t80 -52.47 -64.64 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 14' ' ' TYR . 7.5 ttp180 -33.85 -57.68 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.401 ' CG ' ' HG2' ' A' ' 13' ' ' PRO . 6.4 m-20 -46.33 -63.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 -49.13 -35.29 16.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.0 t -69.86 -63.16 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.461 HG13 ' N ' ' A' ' 20' ' ' HIS . 50.6 pt -52.69 -37.53 25.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.522 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 15.0 m80 -60.75 -40.92 94.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.7 mt -72.04 -43.9 64.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 85.9 mt -67.12 -28.66 68.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.467 ' CA ' HD13 ' A' ' 68' ' ' LEU . . . -51.07 -70.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.06 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.8 mt -41.01 -49.91 3.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.403 ' HE2' ' CE1' ' A' ' 27' ' ' TYR . 21.7 pttt -158.77 171.37 20.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.75 138.46 42.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.403 ' CE1' ' HE2' ' A' ' 25' ' ' LYS . 13.2 m-85 -127.1 151.98 47.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 29' ' ' LYS . 19.0 mttt -93.25 148.75 21.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.587 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 3.3 tptm -35.51 -54.48 1.22 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.539 0.685 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.4 Cg_endo -69.75 -50.93 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.341 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 32' ' ' LEU . 10.8 tp10 -55.14 -63.68 1.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.417 ' CD1' HD23 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -38.37 -45.16 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 36' ' ' LEU . 12.3 mt -57.01 -59.9 4.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -33.02 -42.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 72.7 mmt-85 -66.99 -47.72 70.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 33' ' ' LEU . 70.2 mt -71.89 -56.82 5.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.02 -37.82 1.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -48.84 -57.46 6.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.45 -20.77 58.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.1 126.33 2.87 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.456 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.2 t -130.84 126.83 60.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.362 . . . . 0.0 111.106 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' A' ' 43' ' ' GLN . 39.8 t-20 -70.46 146.24 50.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.403 ' N ' ' OD1' ' A' ' 42' ' ' ASN . 19.9 tt0 -62.17 -51.32 68.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.27 -18.32 6.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.868 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.49 -32.99 13.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.4 mttt -48.74 -36.41 16.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -87.46 -37.32 17.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.4 p -69.49 -8.54 47.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.461 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -64.64 -61.64 2.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -43.74 -35.41 3.14 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.546 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.15 -52.23 25.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.744 0.306 . . . . 0.0 111.095 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 55' ' ' GLN . 47.4 mt -56.73 -45.7 82.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.455 ' HG ' ' CD2' ' A' ' 49' ' ' LEU . 24.1 mt -46.79 -34.62 5.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -88.74 -19.86 25.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.427 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 34.4 mt-30 -84.1 -22.58 31.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.457 ' CG2' HG21 ' A' ' 19' ' ' ILE . 26.8 m -125.99 -22.01 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.081 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.419 ' CA ' ' O ' ' A' ' 53' ' ' LEU . . . -128.09 176.71 7.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -133.47 129.74 37.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.565 ' HB2' ' CE1' ' A' ' 66' ' ' TYR . 4.2 tt -78.55 131.18 36.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.47 ' O ' ' N ' ' A' ' 62' ' ' LYS . 9.5 t-20 -105.57 93.34 4.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.2 m -38.77 -27.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 60' ' ' ASN . 7.9 tptm -53.56 -65.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -110.54 18.85 19.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.8 mt 44.93 25.04 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.0 p -102.78 140.66 36.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 59' ' ' LEU . 62.3 m-85 -87.46 122.56 31.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 36.3 p -104.43 124.98 50.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.156 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.503 HD12 ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -55.17 131.09 44.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.465 ' N ' HD23 ' A' ' 68' ' ' LEU . 30.0 mttm -55.23 -175.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.487 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 7.3 t70 -91.97 -66.72 0.9 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.572 ' CD1' ' N ' ' A' ' 72' ' ' VAL . 43.9 p90 -46.68 -48.68 20.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.572 ' N ' ' CD1' ' A' ' 71' ' ' TYR . 61.5 t -42.21 -27.87 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.171 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.503 ' CE1' HD12 ' A' ' 68' ' ' LEU . 19.5 m-85 -55.89 -42.87 76.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 71' ' ' TYR . 4.9 ptpt -72.97 -2.46 21.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -99.2 -19.29 17.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.1 mt -61.11 -175.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -137.73 120.64 16.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.36 -37.27 86.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -82.26 17.94 1.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.565 ' HB3' ' CD2' ' A' ' 83' ' ' TYR . 74.0 t-105 -57.77 127.35 78.54 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.586 0.707 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.563 ' HD2' ' CE3' ' A' ' 80' ' ' TRP . 53.7 Cg_endo -69.84 3.57 2.74 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.697 2.265 . . . . 0.0 112.323 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.466 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -98.5 -0.83 57.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.526 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.565 ' CD2' ' HB3' ' A' ' 80' ' ' TRP . 23.4 m-85 -113.51 118.54 34.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.869 0.366 . . . . 0.0 110.961 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.7 m -72.1 -178.64 2.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.836 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -48.82 -24.6 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.455 ' O ' ' C ' ' A' ' 87' ' ' ASP . 5.4 mp -95.34 -64.49 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 86' ' ' ILE . 83.8 m-20 -33.89 -53.81 0.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.447 ' N ' ' HB3' ' A' ' 83' ' ' TYR . 60.6 mtp180 -45.32 -49.88 12.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -75.92 -19.4 58.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.864 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.7 t -83.53 -23.17 32.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.506 HD11 ' CZ ' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -88.04 -52.59 5.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.438 ' N ' ' CD2' ' A' ' 91' ' ' LEU . 7.8 pt-20 -43.11 -23.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 91' ' ' LEU . 22.9 t -68.7 -54.96 13.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 92.0 t -54.25 -53.66 27.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 30.6 mt -51.93 -34.89 43.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 34.8 t -70.62 -52.19 23.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 -60.35 -53.17 60.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -56.19 -60.47 3.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 46.1 mt -62.21 97.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 15.2 p30 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.947 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.6 p -70.91 -47.73 57.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 0.0 110.891 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.4 p -152.09 127.24 9.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.03 110.18 0.41 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.469 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.7 t -127.2 142.6 51.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.901 0.381 . . . . 0.0 110.834 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m -115.71 94.16 4.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.09 113.21 4.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.463 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.4 p -101.45 169.52 8.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.78 0.324 . . . . 0.0 111.14 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.3 mm -89.84 -36.0 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.9 t -59.31 -57.11 14.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -42.11 -33.81 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -69.12 151.69 97.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.585 0.707 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 139.12 39.41 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.245 . . . . 0.0 112.37 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.452 ' O ' ' C ' ' A' ' 15' ' ' ARG . 3.7 t80 -44.58 -61.33 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 11.5 ttm105 -33.68 -64.52 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -49.4 -53.05 24.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -51.56 -30.9 22.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.1 t -78.61 -65.7 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.477 ' CG1' ' N ' ' A' ' 20' ' ' HIS . 8.2 pt -48.41 -46.46 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.742 ' CD2' ' CG ' ' A' ' 80' ' ' TRP . 12.8 m80 -51.45 -27.17 9.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.83 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.8 mt -87.25 -48.59 7.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 25' ' ' LYS . 23.5 mt -60.84 -30.68 70.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.47 ' CA ' HD11 ' A' ' 68' ' ' LEU . . . -48.94 -64.44 0.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.6 mt -43.31 -52.71 5.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 22' ' ' LEU . 37.3 pttt -157.24 171.72 19.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.54 136.78 47.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -127.79 150.34 49.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -94.18 162.8 13.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.587 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -46.72 -54.57 18.6 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.621 0.724 . . . . 0.0 110.903 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.7 Cg_endo -69.76 -50.76 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.653 2.235 . . . . 0.0 112.374 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -55.7 -63.21 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.47 ' CD1' HD22 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -40.61 -43.55 1.93 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 36' ' ' LEU . 10.0 mt -56.4 -63.16 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -31.87 -52.91 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.488 ' HA ' ' CE ' ' A' ' 38' ' ' LYS . 9.2 mmm180 -52.97 -46.8 68.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 33' ' ' LEU . 24.3 mt -73.69 -55.09 6.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.465 ' NE2' ' HB ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -49.43 -29.15 6.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.488 ' CE ' ' HA ' ' A' ' 35' ' ' ARG . 19.6 mtmt -53.49 -34.77 59.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.39 -6.26 23.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.29 120.77 3.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.487 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.465 ' HB ' ' NE2' ' A' ' 37' ' ' GLN . 19.3 t -126.35 120.63 57.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 0.0 111.117 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -69.32 146.88 51.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -60.88 -46.49 90.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -51.4 -44.07 62.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -80.11 -22.57 42.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.9 ttpp -56.92 -52.59 64.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -66.04 -37.41 85.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 60.0 m -64.05 -28.18 69.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.472 HD11 ' CE ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -44.66 -61.42 1.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.05 -33.34 6.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.493 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.8 -41.38 60.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.322 . . . . 0.0 111.073 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.7 mt -67.48 -41.55 86.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.47 HD22 ' CD1' ' A' ' 32' ' ' LEU . 12.7 mt -52.0 -35.07 45.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -89.41 -15.37 33.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -90.84 -24.22 20.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.467 ' CG2' HG22 ' A' ' 19' ' ' ILE . 21.3 m -119.94 -28.97 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -122.29 177.17 5.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.099 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -129.16 129.8 45.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.513 ' HG ' ' CZ ' ' A' ' 66' ' ' TYR . 1.5 tt -79.05 133.87 36.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -113.45 102.22 10.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.0 m -46.04 -29.69 1.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -46.98 -66.6 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -118.37 22.25 12.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.8 mt 45.39 31.44 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.6 p -102.92 136.28 43.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.513 ' CZ ' ' HG ' ' A' ' 59' ' ' LEU . 80.5 m-85 -89.32 120.32 30.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.933 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.3 p -102.29 124.75 48.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.136 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.564 HD13 ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -54.85 127.86 30.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.451 ' N ' HD23 ' A' ' 68' ' ' LEU . 33.3 mttm -51.58 -174.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.527 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 9.5 p-10 -95.87 -60.41 1.65 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.899 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.502 ' CE1' HG22 ' A' ' 72' ' ' VAL . 1.8 p90 -50.43 -44.29 55.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.502 HG22 ' CE1' ' A' ' 71' ' ' TYR . 97.1 t -46.31 -37.47 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.564 ' CE1' HD13 ' A' ' 68' ' ' LEU . 25.8 m-85 -46.88 -33.94 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -70.99 -31.65 68.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -68.92 -36.94 78.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 81.3 mt -40.99 151.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 80' ' ' TRP . 36.6 mt-30 -111.38 105.53 14.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -45.82 -24.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -94.51 27.26 3.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.742 ' CG ' ' CD2' ' A' ' 20' ' ' HIS . 68.2 t-105 -68.24 113.38 14.87 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.547 0.689 . . . . 0.0 110.953 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 1.88 4.04 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.653 2.236 . . . . 0.0 112.38 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.459 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -96.75 22.13 42.11 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.487 ' CZ ' HD12 ' A' ' 91' ' ' LEU . 15.5 m-85 -121.65 120.47 34.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.871 0.367 . . . . 0.0 110.946 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 86' ' ' ILE . 59.3 m -66.04 161.38 21.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -39.92 -29.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 84' ' ' SER . 4.6 mp -91.88 -52.78 9.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.403 ' HB2' ' N ' ' A' ' 84' ' ' SER . 64.7 m-20 -41.02 -56.75 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -43.71 -57.5 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -65.29 -22.15 66.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 m -83.54 -16.54 45.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.487 HD12 ' CZ ' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -91.98 -48.17 6.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -43.28 -23.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 91' ' ' LEU . 29.1 t -75.36 -58.61 3.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 70.9 t -44.16 -51.5 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.074 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 21.1 mt -60.21 -29.48 68.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.3 t -73.49 -37.91 65.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 97' ' ' ARG . 5.3 mtp-105 -77.24 -44.25 30.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -70.96 -65.62 0.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 11.3 mt -71.44 93.94 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.905 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 m -41.64 148.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 0.0 110.874 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -51.72 104.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.21 79.39 0.31 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.481 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.7 p -131.61 120.1 22.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.862 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.6 p -53.6 133.2 41.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.34 -156.91 27.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.455 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.9 p -141.23 167.82 21.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.75 0.31 . . . . 0.0 111.148 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.435 ' CD1' ' HG2' ' A' ' 81' ' ' PRO . 14.6 mm -83.38 -40.92 16.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.2 t -46.18 -43.28 15.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -63.89 -34.11 77.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.6 mmp_? -69.6 153.52 95.62 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.626 0.727 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 147.91 63.92 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.673 ' N ' HH21 ' A' ' 17' ' ' ARG . 3.2 t80 -52.93 -59.17 4.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 14' ' ' TYR . 12.7 ttp180 -36.74 -64.5 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.01 -54.85 7.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.673 HH21 ' N ' ' A' ' 14' ' ' TYR . 53.3 mtm180 -47.62 -42.34 23.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.452 ' CG1' HD12 ' A' ' 22' ' ' LEU . 97.5 t -67.94 -65.68 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.44 HG23 ' CG2' ' A' ' 56' ' ' VAL . 6.6 pt -50.98 -28.75 6.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.082 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.583 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 7.0 m80 -72.26 -27.15 62.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 45.7 mt -89.53 -41.63 11.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.452 HD12 ' CG1' ' A' ' 18' ' ' VAL . 75.0 mt -66.1 -29.51 69.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.461 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -52.31 -62.57 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.094 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 86.9 mt -45.36 -51.67 10.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.941 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -158.8 174.74 14.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.44 133.53 42.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.113 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -124.69 143.16 50.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.017 0.437 . . . . 0.0 110.901 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 29' ' ' LYS . 8.7 mptt -86.23 149.09 25.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.595 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.7 tptm -36.25 -54.15 1.55 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.596 0.713 . . . . 0.0 110.866 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.1 Cg_endo -69.78 -46.98 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.704 2.269 . . . . 0.0 112.33 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -57.28 -63.18 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.462 ' CD1' HD23 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -39.71 -41.35 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 35' ' ' ARG . 10.0 mt -59.95 -56.17 24.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.464 ' O ' ' CD ' ' A' ' 38' ' ' LYS . . . -35.77 -30.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 33' ' ' LEU . 37.7 mmt-85 -78.56 -47.63 16.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.817 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 17' ' ' ARG . 6.9 mt -72.11 -51.52 21.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.43 -32.86 5.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.464 ' CD ' ' O ' ' A' ' 34' ' ' ALA . 21.0 mtpt -57.75 -55.43 35.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.57 -30.77 66.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.42 102.41 0.84 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.44 HG13 ' CG ' ' A' ' 46' ' ' LYS . 18.6 t -101.04 126.9 54.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.857 0.361 . . . . 0.0 111.159 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -71.11 126.76 30.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -39.15 -38.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.422 ' CE ' ' O ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -61.33 -55.27 33.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.563 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 4.1 m-20 -56.3 -42.24 77.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.44 ' CG ' HG13 ' A' ' 41' ' ' VAL . 54.7 mttt -38.8 -26.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 45' ' ' ASP . 50.5 m-20 -99.26 -38.4 8.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 m -61.67 -38.23 86.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.47 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -37.32 -67.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -39.88 -33.79 0.46 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.514 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.22 -39.55 32.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.739 0.304 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 49' ' ' LEU . 70.3 mt -66.71 -41.75 88.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.527 ' HB3' ' CD1' ' A' ' 66' ' ' TYR . 12.4 mt -53.42 -36.96 62.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -87.49 -11.96 47.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.401 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 18.3 mm-40 -94.8 -21.66 18.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.44 ' CG2' HG23 ' A' ' 19' ' ' ILE . 23.6 m -125.22 -23.74 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -125.79 177.37 6.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.067 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -127.8 130.73 49.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.3 tt -79.96 137.19 36.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -115.51 99.44 7.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.8 p -43.83 -32.82 1.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.5 tttt -43.27 -69.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -115.94 23.41 12.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.8 mt 43.8 38.96 2.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 91.9 p -109.09 143.09 38.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.527 ' CD1' ' HB3' ' A' ' 53' ' ' LEU . 54.5 m-85 -94.09 126.28 39.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.8 p -110.14 124.47 51.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.131 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.558 HD11 ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -54.99 129.53 38.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.467 ' N ' HD23 ' A' ' 68' ' ' LEU . 25.9 mttm -51.48 -175.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.437 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 5.0 t70 -97.66 -40.63 8.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.861 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.595 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.8 p90 -68.9 -46.58 67.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.595 HG23 ' CE1' ' A' ' 71' ' ' TYR . 60.8 t -46.78 -32.55 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.177 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.558 ' CE1' HD11 ' A' ' 68' ' ' LEU . 12.4 m-85 -47.77 -33.96 7.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -73.85 -30.61 62.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -69.04 -22.97 64.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.418 ' CD2' HG13 ' A' ' 19' ' ' ILE . 47.0 mt -58.22 158.0 7.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -117.1 116.61 27.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.3 mtm-85 -58.36 -14.29 7.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -100.71 19.42 17.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.583 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 73.0 t-105 -61.93 121.27 64.21 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.55 0.691 . . . . 0.0 110.944 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.435 ' HG2' ' CD1' ' A' ' 9' ' ' ILE . 53.1 Cg_endo -69.74 -2.86 10.87 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.655 2.237 . . . . 0.0 112.323 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.457 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -83.87 -22.58 55.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.557 ' CE2' HD13 ' A' ' 91' ' ' LEU . 21.5 m-85 -89.54 116.13 27.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.836 0.35 . . . . 0.0 110.944 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 86' ' ' ILE . 37.6 m -74.79 173.51 10.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -39.78 -25.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.475 ' N ' ' O ' ' A' ' 84' ' ' SER . 4.8 mp -93.28 -64.14 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 86' ' ' ILE . 2.9 m-20 -33.98 -53.52 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -46.36 -53.78 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -70.11 -21.7 63.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 m -83.76 -20.22 33.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.557 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.09 -44.39 8.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -46.02 -24.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.892 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.5 t -74.19 -58.12 3.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 75.7 t -44.87 -50.26 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.094 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 42.6 mt -61.08 -33.36 73.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.4 t -67.46 -35.53 79.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 -81.34 -37.09 28.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -77.65 -69.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 16.5 mt -67.13 101.72 0.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.944 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 t -64.53 111.58 2.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 110.904 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.1 m -91.86 87.86 6.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 145.26 83.75 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.475 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 4' ' ' GLY . 17.8 t -34.6 -43.4 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.0 m -56.62 139.98 48.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.808 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.58 164.23 32.0 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.7 p -124.01 -177.63 3.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.785 0.326 . . . . 0.0 111.121 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.449 ' CD1' ' HG2' ' A' ' 81' ' ' PRO . 23.0 mm -113.14 -46.15 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.2 p -53.17 -28.36 25.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -70.36 -30.03 66.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -71.86 151.09 93.09 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.605 0.717 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' TYR . 53.7 Cg_endo -69.76 134.48 28.09 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.71 2.273 . . . . 0.0 112.344 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.457 ' O ' ' C ' ' A' ' 15' ' ' ARG . 3.0 t80 -36.51 -62.6 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 14' ' ' TYR . 18.4 ttm180 -33.48 -72.33 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.478 ' OD1' ' CE1' ' A' ' 20' ' ' HIS . 10.6 t0 -41.1 -54.5 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -52.32 -38.48 58.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 37.6 t -68.14 -63.06 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.128 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.462 HG13 ' N ' ' A' ' 20' ' ' HIS . 30.5 pt -50.14 -42.57 19.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.137 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.789 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 7.9 m80 -57.63 -24.25 55.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.452 HD12 ' CD2' ' A' ' 32' ' ' LEU . 67.7 mt -89.86 -42.56 11.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.9 mt -67.0 -34.32 77.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.459 ' CA ' HD13 ' A' ' 68' ' ' LEU . . . -45.42 -65.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.0 mt -41.91 -51.1 4.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -161.68 169.02 22.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.33 133.05 47.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.094 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -121.98 155.29 35.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 29' ' ' LYS . 2.4 mptt -97.95 146.33 25.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.926 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.579 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -34.63 -54.88 0.94 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.563 0.696 . . . . 0.0 110.848 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.579 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.8 Cg_endo -69.72 -50.47 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.718 2.279 . . . . 0.0 112.337 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -54.95 -63.38 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.452 ' CD2' HD12 ' A' ' 21' ' ' LEU . 1.1 tt -38.75 -43.0 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 36' ' ' LEU . 11.9 mt -59.95 -53.66 55.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.22 -22.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 33' ' ' LEU . 16.4 mmt180 -88.29 -33.47 18.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 33' ' ' LEU . 13.2 mt -89.52 -53.75 4.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.463 ' N ' ' CG2' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -36.54 -48.75 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.9 ptmt -48.05 -53.43 16.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -67.64 -20.41 65.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.03 94.21 1.46 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.531 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.463 ' CG2' ' N ' ' A' ' 37' ' ' GLN . 20.0 t -101.09 127.27 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 0.0 111.096 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -72.22 145.73 47.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -62.93 -57.3 11.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -51.8 -22.33 3.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.28 -40.21 12.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.429 ' HG2' ' CG1' ' A' ' 41' ' ' VAL . 32.3 mtmt -38.91 -44.08 1.03 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -76.31 -40.07 52.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.4 m -58.87 -35.5 73.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.468 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -41.49 -59.63 1.54 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -43.79 -41.04 5.59 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.447 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.76 -47.32 66.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.76 0.314 . . . . 0.0 111.101 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 55' ' ' GLN . 57.3 mt -57.93 -46.62 87.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.46 ' CD1' HD21 ' A' ' 49' ' ' LEU . 20.7 mt -47.31 -35.4 7.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -88.11 -17.91 29.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 52' ' ' ILE . 25.6 mt-30 -88.08 -23.15 23.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.4 m -124.6 -23.96 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.426 ' CA ' ' O ' ' A' ' 53' ' ' LEU . . . -124.26 177.23 5.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -129.46 130.04 45.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.483 ' HG ' ' CZ ' ' A' ' 66' ' ' TYR . 1.1 tt -78.75 131.59 36.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -109.28 106.44 16.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.7 t -49.19 -33.06 11.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.8 tttt -43.87 -68.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -118.31 29.81 7.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.1 mt 38.25 32.82 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.8 p -103.1 139.63 38.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.483 ' CZ ' ' HG ' ' A' ' 59' ' ' LEU . 74.8 m-85 -90.0 127.58 36.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 42.9 p -111.34 125.81 54.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.137 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.567 HD12 ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -55.02 130.26 41.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.464 ' N ' HD21 ' A' ' 68' ' ' LEU . 30.1 mttm -52.09 -175.4 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.523 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 5.2 p-10 -97.47 -43.3 7.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.578 ' CE1' HG21 ' A' ' 72' ' ' VAL . 1.8 p90 -66.35 -41.64 89.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.927 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.578 HG21 ' CE1' ' A' ' 71' ' ' TYR . 53.0 t -52.29 -30.69 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.567 ' CE1' HD12 ' A' ' 68' ' ' LEU . 15.3 m-85 -51.24 -28.83 12.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -78.95 -29.44 44.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -73.47 -24.51 60.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 68.7 mt -50.27 176.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -132.05 120.53 22.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -65.09 -25.77 67.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -96.19 24.93 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.789 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 73.6 t-105 -62.98 122.32 74.25 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.581 0.705 . . . . 0.0 110.906 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.449 ' HG2' ' CD1' ' A' ' 9' ' ' ILE . 53.3 Cg_endo -69.79 -0.85 7.53 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.699 2.266 . . . . 0.0 112.32 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.432 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -89.77 -9.44 66.23 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.531 ' CE2' ' CD1' ' A' ' 91' ' ' LEU . 22.4 m-85 -102.74 114.67 29.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 110.91 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 47.2 m -73.96 -176.7 2.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -50.13 -22.74 1.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.452 HD11 ' N ' ' A' ' 86' ' ' ILE . 3.1 mp -96.75 -62.07 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.101 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -36.68 -54.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.407 ' N ' ' HB3' ' A' ' 83' ' ' TYR . 58.7 mtp180 -46.01 -54.47 8.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -69.09 -21.69 64.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.1 m -84.04 -17.6 39.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.531 ' CD1' ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.05 -41.15 10.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.455 ' N ' HD23 ' A' ' 91' ' ' LEU . 8.8 pt-20 -49.87 -18.33 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 96' ' ' SER . 23.3 t -77.28 -69.79 0.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.842 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 93' ' ' SER . 50.7 t -35.91 -61.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.114 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 43.7 mt -47.06 -41.15 16.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 93' ' ' SER . 47.2 t -66.81 -32.71 74.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -81.89 -20.41 38.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.528 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 70.2 mmtt -99.28 -65.69 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 92.2 mt -61.14 96.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.934 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 t -122.29 103.03 8.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.916 0.389 . . . . 0.0 110.908 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 t -65.28 82.88 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.49 -128.12 0.49 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.539 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.9 p -65.49 132.6 49.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.374 . . . . 0.0 110.878 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.7 p -125.48 144.67 50.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.58 161.61 31.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.548 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.6 p -154.4 170.27 21.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.794 0.33 . . . . 0.0 111.154 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.433 ' CD1' ' HG2' ' A' ' 81' ' ' PRO . 17.0 mm -85.74 -44.02 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.0 t -47.13 -57.07 5.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -43.44 -39.08 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -68.26 150.92 97.54 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.616 0.722 . . . . 0.0 110.853 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 146.87 61.17 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.671 2.247 . . . . 0.0 112.328 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.454 ' O ' ' C ' ' A' ' 15' ' ' ARG . 6.0 t80 -49.84 -63.56 1.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 14' ' ' TYR . 20.1 ttm180 -33.89 -57.07 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.58 -54.95 18.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.82 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.468 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 44.4 mtp180 -54.42 -31.49 55.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.4 t -71.15 -60.01 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.453 HG13 ' N ' ' A' ' 20' ' ' HIS . 31.1 pt -58.11 -40.86 78.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.62 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 11.5 m80 -57.12 -24.37 53.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.456 HD11 ' CD2' ' A' ' 32' ' ' LEU . 60.6 mt -90.29 -45.75 8.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 54.5 mt -62.97 -34.35 77.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.452 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -46.74 -63.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.088 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.7 mt -45.02 -49.77 11.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -162.67 172.37 15.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.61 134.0 47.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.566 ' CD2' ' OE2' ' A' ' 31' ' ' GLU . 13.6 m-85 -126.63 140.0 52.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.928 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 29' ' ' LYS . 19.7 mttt -83.92 151.74 24.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.905 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.572 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -36.56 -55.52 1.47 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.611 0.719 . . . . 0.0 110.935 179.87 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.4 Cg_endo -69.8 -49.75 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.627 2.218 . . . . 0.0 112.308 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.566 ' OE2' ' CD2' ' A' ' 27' ' ' TYR . 29.0 tt0 -53.4 -63.96 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.456 ' CD2' HD11 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -37.04 -47.51 0.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.964 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 36' ' ' LEU . 12.0 mt -55.33 -57.91 9.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -33.75 -41.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -68.76 -46.02 69.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 33' ' ' LEU . 9.4 mt -73.91 -58.8 3.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.962 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.31 -34.31 0.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -49.57 -50.68 41.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -81.87 -28.79 32.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 137.86 119.17 1.75 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.457 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.4 t -125.57 126.32 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 111.103 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -70.27 152.66 43.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -68.13 -48.09 66.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -59.57 -23.93 63.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.01 -31.41 18.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.821 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.7 mtmt -47.24 -56.72 6.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -68.04 -40.67 82.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.1 m -59.02 -26.61 64.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.468 HD23 ' CD1' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -51.03 -58.76 5.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -41.72 -33.88 1.14 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.487 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.45 -49.59 26.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.71 0.29 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.9 mt -55.58 -43.01 71.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.468 ' CD1' HD23 ' A' ' 49' ' ' LEU . 13.4 mt -53.37 -37.88 62.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.39 -11.55 54.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.408 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 28.7 mt-30 -94.75 -23.7 17.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.439 ' CG2' HG21 ' A' ' 19' ' ' ILE . 22.9 m -123.67 -23.56 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' LEU . . . -124.22 177.0 6.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.088 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -128.01 131.24 49.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.512 ' HG ' ' CZ ' ' A' ' 66' ' ' TYR . 1.3 tt -79.31 134.41 36.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.469 ' N ' HD23 ' A' ' 59' ' ' LEU . 12.2 t-20 -109.67 86.35 2.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 60' ' ' ASN . 70.1 m -36.96 -30.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 60' ' ' ASN . 1.2 tppt? -51.16 -59.66 3.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.942 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -115.51 12.19 16.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.2 mt 52.49 25.07 3.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.3 p -101.95 141.04 35.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.512 ' CZ ' ' HG ' ' A' ' 59' ' ' LEU . 76.3 m-85 -91.78 127.28 37.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 42.4 p -110.38 125.03 52.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.169 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.565 HD11 ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -53.71 129.48 33.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.465 ' N ' HD23 ' A' ' 68' ' ' LEU . 26.1 mttm -51.27 -175.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.414 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 2.3 p-10 -97.49 -41.1 8.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.586 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.8 p90 -68.18 -45.63 72.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.586 HG23 ' CE1' ' A' ' 71' ' ' TYR . 59.8 t -47.29 -32.36 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.565 ' CE1' HD11 ' A' ' 68' ' ' LEU . 13.6 m-85 -49.7 -33.78 16.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -72.89 -29.34 63.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -74.02 -28.79 61.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.1 mt -46.33 167.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -120.86 115.98 24.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -58.82 -28.85 66.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -95.87 33.46 1.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.62 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 72.2 t-105 -73.14 122.7 88.32 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.581 0.705 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.433 ' HG2' ' CD1' ' A' ' 9' ' ' ILE . 53.9 Cg_endo -69.79 -5.64 16.72 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.258 . . . . 0.0 112.356 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.459 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -82.58 -19.46 63.88 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.458 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.556 ' CD2' ' HB3' ' A' ' 80' ' ' TRP . 25.1 m-85 -89.3 114.26 25.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.886 0.374 . . . . 0.0 110.925 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.5 m -74.21 179.06 4.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -47.87 -19.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 87' ' ' ASP . 6.2 mm -96.67 -67.01 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 87' ' ' ASP . 1.0 OUTLIER -34.13 -56.24 0.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.847 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -44.13 -54.08 5.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -69.79 -19.81 63.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.6 m -88.54 -19.68 26.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.52 HD11 ' CZ ' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.16 -51.02 5.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 91' ' ' LEU . 0.6 OUTLIER -33.3 -45.14 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 96' ' ' SER . 11.4 t -65.41 -61.82 1.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 93' ' ' SER . 52.9 t -34.3 -60.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 83.6 mt -46.22 -41.59 13.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 93' ' ' SER . 22.0 t -72.66 -49.07 34.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.454 ' CZ ' ' HA ' ' A' ' 97' ' ' ARG . 1.7 mmp_? -54.77 -33.19 60.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.845 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.557 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 61.6 mmtt -87.17 -60.02 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 20.3 mt -63.15 94.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.906 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m 52.25 50.5 18.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 110.884 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 t -88.2 -42.05 12.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.72 78.32 0.13 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.518 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.5 p -87.5 43.22 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.879 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.3 p -154.03 124.46 7.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.24 54.87 0.7 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.507 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.3 p -116.0 166.36 12.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.779 0.323 . . . . 0.0 111.116 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.6 mm -85.64 -43.13 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.1 p -45.43 -58.79 3.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -43.5 -31.55 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.3 mmt-85 -73.0 149.82 89.98 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.576 0.703 . . . . 0.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 149.56 66.86 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.674 2.249 . . . . 0.0 112.307 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.458 ' O ' ' C ' ' A' ' 15' ' ' ARG . 6.1 t80 -52.25 -64.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 14' ' ' TYR . 7.5 ttp180 -33.93 -47.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.44 -58.62 7.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.41 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 22.8 mtp180 -53.1 -29.15 29.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 70.4 t -76.44 -59.68 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.464 HG21 ' CG2' ' A' ' 56' ' ' VAL . 26.8 pt -55.98 -41.69 68.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.664 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 21.0 m80 -57.29 -30.87 65.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.5 mt -84.72 -39.93 17.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.424 HD12 ' CD2' ' A' ' 53' ' ' LEU . 61.5 mt -67.54 -28.29 67.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.944 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.47 ' CA ' HD11 ' A' ' 68' ' ' LEU . . . -52.58 -71.64 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 23' ' ' ALA . 95.7 mt -37.6 -44.55 0.7 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.8 pttt -168.14 167.85 12.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.59 137.97 50.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -126.19 152.75 45.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 29' ' ' LYS . 6.7 mptt -92.95 148.53 21.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.583 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -35.99 -54.77 1.38 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.548 0.69 . . . . 0.0 110.867 179.878 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.8 Cg_endo -69.78 -50.25 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.674 2.249 . . . . 0.0 112.347 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 32' ' ' LEU . 31.7 tt0 -55.14 -63.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -37.27 -44.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 36' ' ' LEU . 11.8 mt -58.34 -58.41 8.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -35.56 -31.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.072 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 33' ' ' LEU . 23.7 mmt-85 -78.92 -45.48 20.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 33' ' ' LEU . 10.5 mt -75.04 -53.18 9.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.469 ' OE1' ' CE ' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -44.27 -30.95 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.896 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -53.93 -54.8 33.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.18 -24.79 47.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.65 118.37 1.89 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 37' ' ' GLN . 21.7 t -127.7 120.05 53.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.89 0.376 . . . . 0.0 111.136 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -65.95 154.01 40.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -67.9 -46.9 70.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -56.35 -23.02 34.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.63 -35.81 17.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.469 ' CE ' ' OE1' ' A' ' 37' ' ' GLN . 19.8 mttm -48.47 -34.78 11.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -86.47 -37.5 18.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.6 p -73.56 -7.75 53.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.47 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -67.79 -47.62 68.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -57.06 -33.92 65.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.99 -42.25 66.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.769 0.319 . . . . 0.0 111.106 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 55' ' ' GLN . 58.7 mt -64.81 -47.86 86.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.445 ' CD1' HD23 ' A' ' 49' ' ' LEU . 19.2 mt -46.65 -33.18 4.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -89.35 -19.44 25.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 52' ' ' ILE . 46.7 mm-40 -85.94 -23.86 26.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.464 ' CG2' HG21 ' A' ' 19' ' ' ILE . 22.8 m -121.47 -25.69 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -122.76 177.22 5.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -127.49 131.86 50.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.412 ' C ' HD21 ' A' ' 59' ' ' LEU . 2.4 tt -79.47 133.18 36.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.472 ' O ' ' N ' ' A' ' 62' ' ' LYS . 12.0 t-20 -109.09 89.81 3.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 60' ' ' ASN . 50.8 m -36.95 -30.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 60' ' ' ASN . 30.1 tptt -46.91 -66.29 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.402 ' N ' ' OD1' ' A' ' 63' ' ' ASP . 17.2 p-10 -116.67 18.49 14.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.0 mt 50.33 33.57 7.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 91.6 p -103.48 142.79 33.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.425 ' CD1' ' HB3' ' A' ' 53' ' ' LEU . 68.8 m-85 -95.18 119.4 33.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.935 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.8 p -103.12 124.74 49.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.572 HD13 ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -54.72 128.89 34.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.42 ' N ' HD23 ' A' ' 68' ' ' LEU . 30.5 mttm -52.09 -178.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.533 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 1.1 p30 -97.63 -36.94 10.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.581 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.5 p90 -70.44 -40.34 73.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.581 HG23 ' CE1' ' A' ' 71' ' ' TYR . 47.9 t -54.7 -29.95 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.118 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.572 ' CE1' HD13 ' A' ' 68' ' ' LEU . 13.9 m-85 -50.12 -30.4 11.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.6 ptmm? -74.81 -33.92 62.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -67.12 -37.38 83.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 74.8 mt -40.49 161.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 80' ' ' TRP . 52.4 mt-30 -120.09 104.47 10.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.6 mtm-85 -47.62 -27.24 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -92.25 27.54 2.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.664 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 75.5 t-105 -68.71 111.94 9.8 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.596 0.712 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 1.37 4.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.385 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.455 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -94.33 21.26 43.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.475 ' CA ' ' HB2' ' A' ' 87' ' ' ASP . 21.6 m-85 -123.21 115.79 22.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.883 0.373 . . . . 0.0 110.909 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.472 ' N ' ' HB2' ' A' ' 87' ' ' ASP . 62.8 m -64.32 168.1 6.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 84' ' ' SER . 11.8 tt0 -35.86 -33.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.482 ' O ' ' C ' ' A' ' 87' ' ' ASP . 6.4 mm -90.18 -60.94 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.482 ' C ' ' O ' ' A' ' 86' ' ' ILE . 10.8 m-20 -31.03 -47.73 0.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.433 ' N ' ' HB3' ' A' ' 83' ' ' TYR . 41.9 mtp180 -61.83 -68.27 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -13.58 1.84 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.41 -21.66 21.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.05 -42.7 9.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -42.59 -27.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.1 t -74.16 -57.32 4.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.1 t -43.0 -60.36 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 48.3 mt -51.81 -38.1 54.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.958 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.6 t -67.97 -34.25 76.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 -75.85 -52.37 10.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -64.78 -65.61 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.5 mt -65.53 92.41 0.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.9 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.5 m -119.22 110.74 17.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.916 0.388 . . . . 0.0 110.839 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.4 m -134.43 121.17 20.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.66 40.02 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.446 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 t -112.63 143.35 43.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.834 0.35 . . . . 0.0 110.867 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -50.87 178.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.32 80.09 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.7 p -105.61 166.58 10.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.805 0.336 . . . . 0.0 111.117 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.2 mm -95.07 -40.7 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.4 t -56.04 -48.93 75.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -50.14 -34.34 21.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -71.36 152.26 94.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.611 0.72 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 142.78 49.05 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.715 2.277 . . . . 0.0 112.354 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.597 ' CE2' ' O ' ' A' ' 45' ' ' ASP . 6.5 t80 -47.0 -63.43 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 14' ' ' TYR . 8.2 ttp180 -32.98 -57.93 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.32 -51.46 54.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -57.13 -31.94 65.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 76.1 t -73.4 -59.08 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.45 HG13 ' N ' ' A' ' 20' ' ' HIS . 16.4 pt -57.61 -46.25 86.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.59 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 15.3 m80 -52.79 -23.97 7.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.432 HD13 ' CD2' ' A' ' 32' ' ' LEU . 51.5 mt -90.35 -49.34 6.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.44 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 67.9 mt -61.38 -28.88 69.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.401 ' CA ' HD13 ' A' ' 68' ' ' LEU . . . -51.75 -67.75 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.3 mt -42.34 -46.83 4.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.45 ' HE2' ' CZ ' ' A' ' 27' ' ' TYR . 39.0 pttt -162.6 166.83 24.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.7 137.19 51.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.058 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.45 ' CZ ' ' HE2' ' A' ' 25' ' ' LYS . 16.1 m-85 -128.25 144.29 51.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 29' ' ' LYS . 22.0 mttt -88.71 150.19 23.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.589 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -35.57 -54.51 1.25 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.575 0.702 . . . . 0.0 110.882 179.796 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.5 Cg_endo -69.75 -49.8 0.53 Allowed 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.736 2.291 . . . . 0.0 112.373 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -55.76 -63.58 1.13 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.432 ' CD2' HD13 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -38.58 -42.17 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 36' ' ' LEU . 13.2 mt -61.08 -53.75 53.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.1 -21.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.41 ' N ' ' C ' ' A' ' 33' ' ' LEU . 13.4 mmm180 -89.17 -32.39 17.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 33' ' ' LEU . 17.2 mt -90.7 -53.89 4.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.45 ' OE1' ' NZ ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -36.47 -46.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -51.02 -54.51 23.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -69.55 -19.49 63.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.13 110.4 1.9 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.409 HG23 ' N ' ' A' ' 37' ' ' GLN . 13.2 t -120.44 114.55 44.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 111.136 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.463 HD21 ' N ' ' A' ' 43' ' ' GLN . 0.1 OUTLIER -76.39 133.02 40.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.463 ' N ' HD21 ' A' ' 42' ' ' ASN . 10.0 tt0 -39.65 -55.45 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.42 ' HG2' ' ND2' ' A' ' 42' ' ' ASN . 11.6 ptpt -52.0 -42.33 62.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.597 ' O ' ' CE2' ' A' ' 14' ' ' TYR . 69.6 m-20 -79.67 -16.35 55.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.45 ' NZ ' ' OE1' ' A' ' 37' ' ' GLN . 0.1 OUTLIER -77.82 -45.32 24.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -70.58 -38.97 74.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.8 m -68.24 -26.78 65.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.473 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -40.89 -58.06 1.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -48.41 -35.96 16.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.36 -40.74 70.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 111.109 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.5 mt -66.32 -45.62 89.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 66' ' ' TYR . 14.3 mt -48.58 -36.53 15.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -86.06 -18.14 33.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -88.51 -22.97 23.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.411 HG23 ' CG2' ' A' ' 19' ' ' ILE . 17.5 m -124.36 -22.54 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.442 ' CA ' ' O ' ' A' ' 53' ' ' LEU . . . -124.53 177.36 5.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -130.78 129.24 42.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.443 HD22 ' N ' ' A' ' 60' ' ' ASN . 2.3 tt -78.57 133.55 37.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.443 ' N ' HD22 ' A' ' 59' ' ' LEU . 10.7 t-20 -112.83 92.6 4.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 60' ' ' ASN . 67.0 m -36.83 -32.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 60' ' ' ASN . 23.5 tptt -41.89 -69.75 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -113.54 15.85 18.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.847 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.9 mt 51.19 38.47 21.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.6 p -111.93 137.64 49.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.829 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.467 ' CD1' ' HB3' ' A' ' 53' ' ' LEU . 52.8 m-85 -87.73 119.9 28.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.0 p -101.93 125.39 48.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.118 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.565 HD12 ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -56.81 128.54 37.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.468 ' N ' HD23 ' A' ' 68' ' ' LEU . 31.8 mttt -51.03 -178.44 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.541 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 5.0 p-10 -97.34 -39.75 9.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.576 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.6 p90 -67.48 -42.21 83.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.576 HG23 ' CE1' ' A' ' 71' ' ' TYR . 69.3 t -51.42 -32.29 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.565 ' CE1' HD12 ' A' ' 68' ' ' LEU . 17.0 m-85 -49.31 -32.19 10.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.2 pttt -74.19 -28.03 61.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -75.98 -24.91 55.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 70.5 mt -47.5 172.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' A' ' 80' ' ' TRP . 21.3 mm-40 -123.6 94.8 4.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -42.04 -24.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 77' ' ' GLN . 2.5 m-20 -103.11 35.53 2.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.59 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 72.7 t-105 -69.61 127.45 92.67 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.524 0.678 . . . . 0.0 110.946 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.539 ' HD2' ' CE3' ' A' ' 80' ' ' TRP . 54.5 Cg_endo -69.72 -5.05 15.24 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.692 2.261 . . . . 0.0 112.399 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.439 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -84.78 -16.46 65.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.502 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.561 ' CD2' ' HB3' ' A' ' 80' ' ' TRP . 17.8 m-85 -95.2 119.91 34.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.93 0.395 . . . . 0.0 110.903 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.1 m -81.4 -178.75 7.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -46.34 -24.74 0.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.453 ' O ' ' C ' ' A' ' 87' ' ' ASP . 5.3 mm -94.72 -65.08 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.152 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 86' ' ' ILE . 2.9 m-20 -34.3 -57.02 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -43.39 -54.84 4.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -69.83 -19.51 63.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.4 m -87.83 -18.12 30.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.551 HD12 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -91.89 -40.5 11.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.869 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.463 ' N ' HD22 ' A' ' 91' ' ' LEU . 7.6 pt-20 -44.74 -30.07 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.1 t -65.27 -63.27 1.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.1 t -41.21 -59.42 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.425 ' CD1' HD21 ' A' ' 91' ' ' LEU . 42.8 mt -54.7 -34.46 62.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.5 t -69.26 -39.2 78.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 -74.36 -40.49 62.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.409 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 21.3 mmtp -73.27 -61.9 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 50.2 mt -72.32 99.98 2.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.931 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -93.36 173.56 7.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.379 . . . . 0.0 110.844 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.8 p -80.98 128.79 34.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.39 125.86 0.96 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.443 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.5 p -122.27 46.44 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 0.0 110.899 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -139.13 165.18 27.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.56 165.19 38.45 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.1 p -155.92 171.54 19.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.737 0.303 . . . . 0.0 111.127 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.3 mm -68.28 -44.59 83.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.5 p -51.32 -47.43 62.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -53.58 -22.41 8.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -80.44 151.56 72.09 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.603 0.716 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 141.43 45.22 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.729 2.286 . . . . 0.0 112.322 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 15' ' ' ARG . 4.5 t80 -44.73 -63.61 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 14' ' ' TYR . 15.1 ttm180 -34.01 -60.86 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.24 -52.9 14.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.465 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 34.2 mtp180 -56.71 -30.93 63.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.449 ' CG1' HD11 ' A' ' 32' ' ' LEU . 88.9 t -76.12 -59.59 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.457 HG13 ' N ' ' A' ' 20' ' ' HIS . 17.1 pt -56.84 -46.12 83.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.127 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.613 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 15.7 m80 -53.56 -26.64 22.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.462 HD12 ' CD2' ' A' ' 32' ' ' LEU . 55.6 mt -86.69 -46.51 9.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.416 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 60.6 mt -63.24 -31.66 72.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.465 ' CA ' HD13 ' A' ' 68' ' ' LEU . . . -48.14 -64.62 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.9 mt -43.46 -50.01 7.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.0 pttt -161.97 171.95 16.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.7 132.34 45.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.416 ' HB2' ' CD2' ' A' ' 22' ' ' LEU . 15.6 m-85 -126.3 135.86 52.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -80.25 156.18 26.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.603 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 5.0 tptm -41.2 -53.55 6.56 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.566 0.698 . . . . 0.0 110.931 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.73 -50.74 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.702 2.268 . . . . 0.0 112.363 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -54.31 -63.27 1.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.462 ' CD2' HD12 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -40.04 -46.59 2.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 36' ' ' LEU . 9.3 mt -53.57 -60.39 3.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -32.62 -48.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.483 ' HA ' ' CE ' ' A' ' 38' ' ' LYS . 8.8 mmt180 -61.34 -44.68 96.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 33' ' ' LEU . 46.7 mt -74.4 -58.01 3.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.431 ' NE2' ' HB ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -41.12 -33.47 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.483 ' CE ' ' HA ' ' A' ' 35' ' ' ARG . 22.2 mtmt -45.52 -55.6 6.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -78.84 -22.88 45.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.32 122.81 2.53 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.431 ' HB ' ' NE2' ' A' ' 37' ' ' GLN . 17.5 t -123.28 136.84 58.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 111.111 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -82.68 125.92 31.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.82 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -46.48 -46.4 18.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -57.8 -28.65 64.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.6 -26.5 27.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -56.29 -48.9 75.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -65.27 -32.44 74.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 p -75.12 -34.05 61.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.472 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 0.6 OUTLIER -41.29 -57.32 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.931 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.85 -36.03 13.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.73 -44.89 65.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.762 0.315 . . . . 0.0 111.093 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' GLN . 47.8 mt -61.97 -47.87 91.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.509 ' HB3' ' CD1' ' A' ' 66' ' ' TYR . 14.5 mt -45.82 -34.34 3.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -87.76 -20.72 25.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 52' ' ' ILE . 30.9 mt-30 -84.6 -24.03 29.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.444 ' CG2' HG23 ' A' ' 19' ' ' ILE . 20.9 m -122.75 -23.58 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.427 ' CA ' ' O ' ' A' ' 53' ' ' LEU . . . -124.9 177.37 6.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.078 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -126.98 130.78 50.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.449 ' HG ' ' CZ ' ' A' ' 66' ' ' TYR . 0.7 OUTLIER -78.72 131.53 36.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -109.97 95.41 5.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.8 t -43.46 -24.92 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.1 tptt -49.91 -65.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -116.93 13.97 15.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.7 mt 56.48 24.98 9.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.1 p -98.38 143.43 28.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.509 ' CD1' ' HB3' ' A' ' 53' ' ' LEU . 61.2 m-85 -93.5 126.54 38.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 67.1 p -108.68 124.59 50.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.119 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.573 HD12 ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -55.27 129.17 37.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.456 ' N ' HD23 ' A' ' 68' ' ' LEU . 27.4 mttm -51.86 -174.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.445 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 1.6 m-20 -97.28 -44.8 6.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.581 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.9 p90 -64.73 -46.56 81.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.581 HG23 ' CE1' ' A' ' 71' ' ' TYR . 58.1 t -45.19 -35.02 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.13 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CE1' HD12 ' A' ' 68' ' ' LEU . 15.6 m-85 -46.78 -36.69 7.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -69.49 -31.88 70.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -71.6 -23.7 61.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 66.7 mt -51.28 170.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -128.54 115.65 18.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.6 mtm180 -60.38 -20.48 59.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -98.64 22.79 9.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.613 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 68.6 t-105 -62.28 118.88 44.39 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.605 0.717 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 0.96 4.92 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.309 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -90.81 -9.52 64.07 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.507 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.485 ' CD2' ' HB3' ' A' ' 80' ' ' TRP . 20.8 m-85 -100.68 118.07 36.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 110.936 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 86' ' ' ILE . 61.4 m -75.85 173.3 11.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -39.33 -26.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.469 ' N ' ' O ' ' A' ' 84' ' ' SER . 6.5 mm -93.97 -64.05 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 86' ' ' ILE . 3.4 m-20 -33.91 -51.97 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.419 ' N ' ' HB3' ' A' ' 83' ' ' TYR . 97.5 mtt180 -50.62 -64.06 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.432 ' NH1' ' HB2' ' A' ' 89' ' ' ARG . 0.6 OUTLIER -58.55 -22.73 56.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.892 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -82.52 -20.39 36.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.478 HD12 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.08 -46.49 7.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.413 ' N ' HD21 ' A' ' 91' ' ' LEU . 9.2 pt-20 -43.05 -25.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 34.6 t -73.06 -58.83 3.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 88.1 t -44.56 -51.95 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 61.1 mt -60.95 -37.55 82.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.0 t -67.52 -32.7 73.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.9 mtm180 -79.35 -49.9 11.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 47.4 mmtt -66.54 -62.96 1.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 35.2 mt -69.1 99.31 1.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 179.908 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -127.3 -48.69 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.853 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.8 t -55.8 115.56 2.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.9 -93.9 0.21 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.468 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.8 m -88.4 120.27 29.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.905 0.383 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.2 m -62.72 90.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.51 125.8 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.442 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.6 p -100.2 169.02 9.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.313 . . . . 0.0 111.155 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.6 mm -80.26 -38.98 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.123 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.2 t -59.45 -47.9 83.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -59.85 -30.26 68.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.442 ' HG3' ' CZ3' ' A' ' 80' ' ' TRP . 5.0 mmp_? -70.44 152.65 95.42 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.57 0.7 . . . . 0.0 110.861 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 14' ' ' TYR . 53.5 Cg_endo -69.79 132.77 23.99 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.708 2.272 . . . . 0.0 112.313 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.446 ' C ' ' O ' ' A' ' 13' ' ' PRO . 5.6 t80 -34.98 -64.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 14' ' ' TYR . 16.1 ttp180 -34.23 -58.71 0.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.65 -50.73 23.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -57.18 -38.99 74.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.443 ' CG1' HD13 ' A' ' 32' ' ' LEU . 72.2 t -68.54 -59.63 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.466 HG22 ' CG2' ' A' ' 56' ' ' VAL . 24.4 pt -54.88 -41.19 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.773 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 9.0 m80 -57.76 -35.0 70.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 82.5 mt -81.54 -41.64 21.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.416 HD11 ' CB ' ' A' ' 57' ' ' ALA . 40.4 mt -65.32 -31.73 73.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.461 ' CA ' HD11 ' A' ' 68' ' ' LEU . . . -52.94 -65.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.8 mt -38.84 -47.17 1.38 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -167.06 172.97 9.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.04 134.44 47.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.058 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -126.82 153.83 45.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 29' ' ' LYS . 3.8 mptt -96.38 149.34 21.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.597 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.3 tptm -36.9 -54.03 1.82 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.592 0.711 . . . . 0.0 110.903 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.597 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.7 Cg_endo -69.77 -49.78 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -56.07 -63.69 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.443 HD13 ' CG1' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -38.86 -42.08 0.8 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 36' ' ' LEU . 10.2 mt -60.12 -55.91 28.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -39.82 -25.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.492 ' HA ' ' CE ' ' A' ' 38' ' ' LYS . 57.7 mmt-85 -85.29 -37.26 20.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' A' ' 33' ' ' LEU . 25.6 mt -82.04 -50.56 8.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.456 ' NE2' ' HB ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -51.78 -42.3 62.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.954 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.492 ' CE ' ' HA ' ' A' ' 35' ' ' ARG . 1.3 ptpt -54.04 -38.78 65.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -84.01 -26.65 28.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.91 106.83 1.07 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.513 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.456 ' HB ' ' NE2' ' A' ' 37' ' ' GLN . 19.1 t -120.23 151.13 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 111.138 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' A' ' 45' ' ' ASP . 2.4 t30 -108.48 125.71 52.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -38.14 -35.39 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -60.5 -44.88 95.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 48' ' ' SER . 5.9 m-20 -69.08 -43.66 74.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 45' ' ' ASP . 4.5 mtmp? -37.96 -40.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -72.61 -43.23 63.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 45' ' ' ASP . 25.3 m -62.76 -40.8 98.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.471 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -38.63 -68.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.42 -37.69 1.24 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.05 -35.36 49.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.736 0.303 . . . . 0.0 111.086 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 49' ' ' LEU . 84.3 mt -69.12 -41.0 81.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.152 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.542 HD12 ' CE2' ' A' ' 66' ' ' TYR . 12.5 mt -53.03 -34.13 55.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -90.17 -14.72 32.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.411 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 7.7 mm100 -91.74 -24.5 19.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.466 ' CG2' HG22 ' A' ' 19' ' ' ILE . 26.2 m -120.24 -26.42 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.416 ' CB ' HD11 ' A' ' 22' ' ' LEU . . . -123.24 177.36 5.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -127.98 129.22 46.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.416 HD23 ' N ' ' A' ' 60' ' ' ASN . 2.1 tt -79.01 133.17 36.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 62' ' ' LYS . 29.1 t30 -111.28 94.71 5.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.6 t -39.14 -27.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 60' ' ' ASN . 6.8 tptp -48.16 -68.05 0.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -115.73 20.22 14.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.8 mt 48.24 26.2 1.02 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 99.7 p -97.42 143.0 28.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.542 ' CE2' HD12 ' A' ' 53' ' ' LEU . 48.5 m-85 -92.61 129.01 38.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 38.2 p -113.55 124.61 52.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.156 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.568 HD13 ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -55.17 129.03 36.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.466 ' N ' HD22 ' A' ' 68' ' ' LEU . 29.3 mttm -51.93 -175.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.53 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 4.9 p-10 -97.58 -43.45 7.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.579 ' CE1' HG22 ' A' ' 72' ' ' VAL . 1.7 p90 -65.9 -40.71 91.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.579 HG22 ' CE1' ' A' ' 71' ' ' TYR . 53.1 t -53.2 -31.92 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.095 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.568 ' CE1' HD13 ' A' ' 68' ' ' LEU . 15.1 m-85 -49.04 -33.11 10.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -73.49 -31.9 63.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -69.15 -23.21 63.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.0 mt -55.65 164.23 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -126.34 114.04 17.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 -57.21 -14.33 4.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -99.91 18.65 17.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.773 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 73.0 t-105 -64.39 120.28 63.74 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.545 0.688 . . . . 0.0 110.926 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -5.15 15.52 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.31 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.46 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -84.02 -11.8 78.1 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.567 ' CE2' HD12 ' A' ' 91' ' ' LEU . 25.1 m-85 -96.53 114.0 25.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.864 0.364 . . . . 0.0 110.914 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.47 ' N ' ' HB2' ' A' ' 87' ' ' ASP . 31.5 m -67.28 176.77 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -50.72 -22.92 2.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.406 ' O ' ' CG ' ' A' ' 89' ' ' ARG . 4.5 mp -96.74 -45.77 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.47 ' HB2' ' N ' ' A' ' 84' ' ' SER . 0.9 OUTLIER -50.19 -54.39 21.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 -45.49 -50.13 13.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.406 ' CG ' ' O ' ' A' ' 86' ' ' ILE . 4.5 ptm180 -71.86 -23.8 61.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -80.69 -20.92 41.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.567 HD12 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.03 -47.4 7.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.461 ' N ' HD21 ' A' ' 91' ' ' LEU . 8.7 pt-20 -44.41 -24.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.7 t -77.29 -53.22 7.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 74.9 t -47.98 -51.08 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.091 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 32.2 mt -57.13 -34.22 68.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.9 t -68.0 -39.54 83.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -76.19 -38.77 56.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.532 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 37.5 mmtm -78.0 -63.99 1.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 36.1 mt -68.64 97.27 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.966 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.921 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.2 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.851 0.358 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -55.18 -24.38 26.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -80.43 152.26 72.88 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.644 0.735 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 134.84 29.11 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.273 . . . . 0.0 112.389 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.452 ' O ' ' C ' ' A' ' 15' ' ' ARG . 5.6 t80 -41.84 -61.05 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 14' ' ' TYR . 15.1 ttp180 -33.52 -66.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.412 ' HA ' HD11 ' A' ' 19' ' ' ILE . 2.9 m-20 -43.73 -57.52 3.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.419 ' HA ' ' CZ2' ' A' ' 80' ' ' TRP . 64.9 mtp180 -49.52 -37.15 25.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.686 HG13 HD11 ' A' ' 32' ' ' LEU . 83.9 t -70.56 -65.53 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.484 HG13 ' N ' ' A' ' 20' ' ' HIS . 27.4 pt -48.36 -43.93 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.717 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 13.2 m80 -53.2 -27.54 22.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.805 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 58.9 mt -88.42 -47.46 8.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.937 HD11 HD23 ' A' ' 53' ' ' LEU . 46.7 mt -64.17 -22.18 66.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.819 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -54.16 -69.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.1 mt -43.5 -46.36 6.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.426 ' HE2' ' CZ ' ' A' ' 27' ' ' TYR . 31.4 pttt -161.59 169.93 20.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.527 ' HB1' ' O ' ' A' ' 66' ' ' TYR . . . -74.93 143.3 43.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.426 ' CZ ' ' HE2' ' A' ' 25' ' ' LYS . 12.2 m-85 -130.13 154.92 47.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.91 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 29' ' ' LYS . 8.7 mptt -91.76 147.72 22.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.899 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.6 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.2 tptm -35.81 -54.68 1.32 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.608 0.718 . . . . 0.0 110.904 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.6 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.2 Cg_endo -69.73 -50.48 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.651 2.234 . . . . 0.0 112.357 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 32' ' ' LEU . 9.8 tt0 -54.52 -66.96 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.947 HD12 HD21 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -34.11 -44.16 0.17 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 35' ' ' ARG . 12.8 mt -61.24 -55.29 33.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.501 ' O ' ' CG ' ' A' ' 38' ' ' LYS . . . -40.21 -24.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 33' ' ' LEU . 13.9 mmt180 -85.16 -44.49 12.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' GLN . 10.4 mt -78.87 -54.04 6.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.566 ' HA ' HG23 ' A' ' 41' ' ' VAL . 14.1 mm-40 -35.91 -45.64 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -42.44 -58.37 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.79 -24.22 65.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.68 111.81 1.83 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.492 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.566 HG23 ' HA ' ' A' ' 37' ' ' GLN . 18.9 t -114.47 123.64 70.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.83 0.348 . . . . 0.0 111.146 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -64.67 136.19 56.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -57.55 -49.67 75.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -56.53 -24.57 47.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -87.7 -36.33 17.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.853 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.492 ' HD3' HE22 ' A' ' 37' ' ' GLN . 37.9 mtmt -42.65 -34.24 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -82.82 -42.49 17.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 98.4 p -60.59 -35.63 76.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.565 HD22 ' CD1' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -39.79 -57.37 1.57 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.38 -38.18 12.87 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.435 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.82 -41.85 64.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.798 0.332 . . . . 0.0 111.105 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.466 ' O ' HG22 ' A' ' 56' ' ' VAL . 65.0 mt -63.3 -46.95 94.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.947 HD21 HD12 ' A' ' 32' ' ' LEU . 13.9 mt -47.79 -32.44 6.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -89.03 -20.21 24.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -84.86 -24.05 28.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 52' ' ' ILE . 34.8 m -124.94 -21.81 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.172 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.747 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -124.4 177.31 5.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.113 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -134.46 121.7 21.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.785 HD23 ' N ' ' A' ' 60' ' ' ASN . 3.1 tt -78.6 130.31 35.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.785 ' N ' HD23 ' A' ' 59' ' ' LEU . 4.0 t-20 -108.55 104.21 13.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.7 p -43.19 -26.03 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.3 tptt -49.11 -67.62 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -117.21 23.62 11.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.584 ' HA ' HD21 ' A' ' 59' ' ' LEU . 17.2 mt 43.36 33.14 0.57 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.9 p -106.29 135.72 47.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.534 ' CD1' ' HB3' ' A' ' 53' ' ' LEU . 92.1 m-85 -83.95 131.41 34.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.1 p -111.13 124.48 52.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.163 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.819 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -61.41 122.09 14.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.484 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . 40.3 mttt -48.76 178.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.572 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 26.8 t0 -89.9 -61.47 1.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.485 ' CG ' ' N ' ' A' ' 72' ' ' VAL . 2.6 p90 -48.87 -44.3 39.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.595 HG11 HD21 ' A' ' 68' ' ' LEU . 81.6 t -46.93 -36.25 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.15 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.579 ' CD2' ' HG3' ' A' ' 98' ' ' LYS . 26.2 m-85 -47.59 -32.48 5.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -73.21 -29.54 62.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -74.73 -24.07 58.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 73' ' ' PHE . 64.2 mt -54.39 178.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -130.33 114.94 16.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 85.0 mtm-85 -60.97 -17.64 52.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -105.61 31.89 4.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.717 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 73.2 t-105 -71.52 125.49 91.77 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.532 0.682 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -0.26 6.64 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.697 2.265 . . . . 0.0 112.355 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -92.06 -8.08 63.53 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.851 ' CE2' HD13 ' A' ' 91' ' ' LEU . 24.2 m-85 -98.23 114.1 26.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.896 0.379 . . . . 0.0 110.918 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.8 m -71.52 176.73 4.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -47.91 -25.55 1.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.65 HD12 ' N ' ' A' ' 86' ' ' ILE . 3.0 mp -94.32 -56.88 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.198 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -41.76 -55.17 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.462 ' HG3' ' CB ' ' A' ' 83' ' ' TYR . 46.4 mtp180 -44.5 -50.1 9.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.402 ' CG ' ' O ' ' A' ' 86' ' ' ILE . 5.0 ptm180 -74.29 -19.4 60.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 t -85.03 -19.45 31.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.851 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.17 -42.33 9.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.94 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.696 ' N ' HD23 ' A' ' 91' ' ' LEU . 8.1 pt-20 -45.84 -24.34 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.3 t -70.27 -70.39 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 97' ' ' ARG . 61.9 t -37.91 -66.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.431 HD22 ' HB3' ' A' ' 73' ' ' PHE . 14.8 mt -42.01 -39.69 1.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.2 t -71.95 -31.57 66.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 94' ' ' VAL . 8.2 mmt180 -79.92 -28.85 39.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.579 ' HG3' ' CD2' ' A' ' 73' ' ' PHE . 8.5 mmmt -93.16 -58.49 2.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 64.2 mt -68.37 94.45 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.877 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.5 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.78 0.324 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -44.56 -27.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -77.12 152.63 82.19 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.625 0.726 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 145.9 58.54 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.701 2.267 . . . . 0.0 112.33 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.481 ' CE2' ' HG ' ' A' ' 49' ' ' LEU . 3.4 t80 -51.98 -64.42 0.82 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.473 ' HG2' ' N ' ' A' ' 16' ' ' ASP . 25.5 ttm180 -33.19 -72.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.473 ' N ' ' HG2' ' A' ' 15' ' ' ARG . 11.3 t0 -40.21 -56.35 1.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 -49.09 -39.5 28.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.707 HG13 HD11 ' A' ' 32' ' ' LEU . 64.7 t -67.05 -64.83 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.156 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.476 HG13 ' N ' ' A' ' 20' ' ' HIS . 26.9 pt -48.53 -43.76 13.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.578 ' NE2' ' CE3' ' A' ' 80' ' ' TRP . 20.7 m-70 -55.13 -26.73 40.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.8 mt -89.35 -47.81 7.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.936 HD11 HD23 ' A' ' 53' ' ' LEU . 51.1 mt -60.26 -28.22 67.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.745 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -53.6 -64.97 0.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.07 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.9 mt -41.41 -45.7 3.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 ptmt -167.74 172.1 9.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.53 134.04 46.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.079 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.497 ' HB2' HD23 ' A' ' 22' ' ' LEU . 12.0 m-85 -124.93 154.3 41.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -95.03 146.23 24.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.587 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.2 tptm -34.88 -55.05 0.98 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.573 0.701 . . . . 0.0 110.901 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.0 Cg_endo -69.71 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.727 2.284 . . . . 0.0 112.375 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -54.48 -63.46 1.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.773 HD12 HD21 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -38.44 -45.01 0.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 36' ' ' LEU . 7.9 mt -57.03 -57.34 13.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -35.81 -36.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -70.82 -46.38 62.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 33' ' ' LEU . 24.4 mt -75.91 -56.99 4.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.52 ' N ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -38.85 -36.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -47.92 -59.12 3.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -76.73 -17.11 59.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.54 125.03 2.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.52 HG23 ' N ' ' A' ' 37' ' ' GLN . 18.6 t -131.73 117.41 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 111.129 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -58.43 152.41 17.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -74.34 -49.46 22.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.5 ptpp? -56.24 -24.1 40.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -88.02 -34.3 18.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -44.2 -49.79 9.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -71.77 -37.23 70.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.5 m -64.9 -29.24 70.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.6 HD22 ' CD1' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -47.29 -54.96 9.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.49 -33.08 8.11 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.42 -43.93 30.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.737 0.303 . . . . 0.0 111.135 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.559 ' O ' HG22 ' A' ' 56' ' ' VAL . 45.2 mt -61.49 -42.35 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.936 HD23 HD11 ' A' ' 22' ' ' LEU . 13.3 mt -52.91 -34.89 57.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -86.71 -16.65 35.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.406 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 27.8 mt-30 -87.42 -25.05 23.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 52' ' ' ILE . 34.4 m -123.98 -22.21 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.727 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -124.53 177.59 5.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -134.28 127.08 31.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.611 HD23 ' N ' ' A' ' 60' ' ' ASN . 4.7 tt -79.08 127.43 31.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.611 ' N ' HD23 ' A' ' 59' ' ' LEU . 12.5 t-20 -105.19 100.32 9.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 99.5 p -43.05 -24.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 60' ' ' ASN . 6.7 tttp -49.37 -67.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.16 11.54 17.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.0 mt 56.19 28.2 12.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 90.7 p -104.19 139.07 39.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.552 ' CZ ' HD12 ' A' ' 59' ' ' LEU . 43.1 m-85 -83.66 123.52 29.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.8 p -105.67 124.46 49.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.745 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -57.61 129.43 41.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.408 ' HB2' HG23 ' A' ' 72' ' ' VAL . 29.3 mttm -51.71 -177.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.499 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 17.7 p-10 -97.98 -38.52 9.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.786 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.572 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.6 p90 -69.59 -44.81 70.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.572 HG23 ' CE1' ' A' ' 71' ' ' TYR . 49.8 t -49.77 -32.17 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.551 ' CE2' ' HG3' ' A' ' 98' ' ' LYS . 11.6 m-85 -47.47 -33.61 6.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -74.73 -31.18 61.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -70.81 -19.15 62.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.96 177.98 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -145.99 125.55 13.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.7 mtt85 -66.68 -17.86 65.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -80.51 -5.32 56.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.578 ' CE3' ' NE2' ' A' ' 20' ' ' HIS . 65.1 t-105 -52.72 130.27 46.51 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.589 0.709 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -26.7 27.17 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.655 2.236 . . . . 0.0 112.343 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.75 -22.92 35.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.843 ' CE2' HD13 ' A' ' 91' ' ' LEU . 17.6 m-85 -95.2 115.83 27.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.855 0.359 . . . . 0.0 110.944 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 73.6 m -74.91 -176.56 2.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -49.98 -23.41 2.0 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.452 ' O ' ' C ' ' A' ' 87' ' ' ASP . 4.5 mp -96.6 -64.37 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 86' ' ' ILE . 1.4 m-20 -34.44 -54.53 0.53 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.814 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 88' ' ' ARG . 14.5 mtp-105 -45.18 -51.98 9.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -72.42 -21.3 61.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 m -85.38 -16.17 40.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.843 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.01 -43.21 9.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.699 ' N ' HD23 ' A' ' 91' ' ' LEU . 19.0 pt-20 -48.99 -19.79 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.4 t -73.01 -61.81 1.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.4 t -46.31 -58.16 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 51.6 mt -50.71 -33.68 23.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.2 t -69.8 -42.06 74.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -69.81 -46.15 66.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.551 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 57.0 mmtt -69.97 -67.94 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 28.8 mt -65.64 93.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.889 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.873 0.368 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 47.6 mm-40 -51.45 -31.78 24.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 mmt-85 -72.37 151.21 91.94 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.623 0.725 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 150.72 68.57 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.678 2.252 . . . . 0.0 112.369 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.433 ' O ' ' C ' ' A' ' 15' ' ' ARG . 5.3 t80 -53.92 -63.87 1.01 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 14' ' ' TYR . 3.1 ttp-105 -34.19 -52.24 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.17 -55.5 30.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.471 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 44.8 mtp180 -55.35 -28.6 54.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.647 HG13 HD11 ' A' ' 32' ' ' LEU . 42.6 t -77.07 -59.66 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.486 HG13 ' N ' ' A' ' 20' ' ' HIS . 11.8 pt -57.96 -48.64 83.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.69 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 12.4 m80 -49.25 -28.45 4.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.0 mt -84.73 -49.28 8.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.785 HD11 HD23 ' A' ' 53' ' ' LEU . 40.8 mt -59.93 -30.57 69.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.583 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -46.61 -74.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.436 HD22 ' HB3' ' A' ' 90' ' ' SER . 79.7 mt -39.24 -45.93 1.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.414 ' HE2' ' CZ ' ' A' ' 27' ' ' TYR . 36.3 pttt -161.85 161.27 28.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.61 143.09 53.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.639 ' HB2' HD23 ' A' ' 22' ' ' LEU . 11.3 m-85 -129.18 161.58 29.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.953 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -101.84 148.91 24.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.908 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.594 ' CE ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -35.27 -55.28 1.07 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.615 0.722 . . . . 0.0 110.907 179.856 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.584 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.8 -50.66 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.647 2.231 . . . . 0.0 112.368 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 32' ' ' LEU . 9.4 tt0 -55.37 -64.21 0.92 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.909 HD12 HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -37.45 -45.11 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.51 HD11 ' NZ ' ' A' ' 29' ' ' LYS . 11.5 mt -56.62 -60.15 3.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -33.65 -38.7 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.075 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 33' ' ' LEU . 6.1 mmm180 -71.46 -46.94 58.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 33' ' ' LEU . 14.2 mt -72.13 -55.9 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.471 ' NE2' ' HB ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -43.75 -35.72 1.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -48.92 -54.49 15.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.47 -27.25 58.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.72 115.84 1.63 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.46 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.471 ' HB ' ' NE2' ' A' ' 37' ' ' GLN . 22.7 t -122.54 146.12 28.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.83 0.347 . . . . 0.0 111.102 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -89.69 119.22 29.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -45.08 -29.74 0.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -71.66 -40.18 69.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.68 -28.44 61.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -46.72 -49.44 19.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -64.56 -40.75 96.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.6 p -64.81 -32.79 74.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.594 HD13 ' CE ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -43.92 -55.64 4.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -50.03 -35.72 26.25 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.78 -42.0 64.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 55' ' ' GLN . 59.0 mt -64.15 -46.97 92.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.909 HD21 HD12 ' A' ' 32' ' ' LEU . 15.5 mt -46.65 -34.44 5.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -87.0 -21.6 26.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' ILE . 14.8 mm-40 -84.47 -22.68 30.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.48 ' CG2' HG22 ' A' ' 19' ' ' ILE . 18.9 m -124.13 -22.76 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.662 ' HB3' ' O ' ' A' ' 53' ' ' LEU . . . -125.33 177.36 6.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.072 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -133.84 130.2 37.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.819 HD23 ' N ' ' A' ' 60' ' ' ASN . 4.2 tt -79.4 130.37 35.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.819 ' N ' HD23 ' A' ' 59' ' ' LEU . 2.6 t-20 -106.1 98.8 8.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.7 t -39.62 -30.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -46.16 -66.86 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -116.03 15.79 16.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.577 ' HA ' HD21 ' A' ' 59' ' ' LEU . 40.0 mt 51.45 26.72 3.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.1 p -97.34 140.96 31.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.469 ' CB ' HD22 ' A' ' 53' ' ' LEU . 72.3 m-85 -88.62 117.17 27.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.9 p -100.65 125.75 47.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.583 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -57.61 128.21 35.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.401 ' HE3' ' C ' ' A' ' 55' ' ' GLN . 28.9 mttm -49.57 -179.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.573 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -96.77 -40.69 8.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.689 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.5 p90 -66.6 -42.52 86.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.689 HG23 ' CE1' ' A' ' 71' ' ' TYR . 78.9 t -50.65 -34.61 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.083 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 18.8 m-85 -47.27 -31.4 3.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -73.73 -30.92 63.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -71.39 -31.04 66.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.448 HD12 HD21 ' A' ' 95' ' ' LEU . 77.7 mt -45.24 167.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -122.24 113.59 19.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.421 ' NH2' ' HA ' ' A' ' 92' ' ' GLU . 10.1 mmt180 -54.86 -25.21 27.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -98.16 30.73 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.69 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 73.1 t-105 -67.41 119.06 62.53 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.615 0.721 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -6.53 18.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.462 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -83.47 -15.24 71.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.521 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.865 ' CE2' HD13 ' A' ' 91' ' ' LEU . 23.2 m-85 -93.92 115.39 27.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 0.0 110.946 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.406 ' C ' ' N ' ' A' ' 86' ' ' ILE . 58.5 m -75.74 175.82 8.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -42.85 -24.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 87' ' ' ASP . 7.8 mm -92.64 -62.78 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.104 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.457 ' HB2' ' CA ' ' A' ' 83' ' ' TYR . 3.3 m-20 -36.04 -56.77 0.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -44.5 -60.17 2.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -61.07 -22.16 64.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.436 ' HB3' HD22 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -84.63 -23.05 29.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.773 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.865 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.13 -35.39 13.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.534 ' N ' HD23 ' A' ' 91' ' ' LEU . 13.9 pt-20 -55.64 -18.02 6.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t -88.11 -62.87 1.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.46 ' CG1' ' N ' ' A' ' 95' ' ' LEU . 3.0 p -46.3 -41.88 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.46 ' N ' ' CG1' ' A' ' 94' ' ' VAL . 84.4 mt -70.55 -24.32 62.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -79.79 -42.23 24.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -75.28 -34.95 61.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -73.6 -56.69 4.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.1 mt -77.87 94.27 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.915 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.0 m . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.849 0.357 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -68.84 -33.71 74.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.9 mmp_? -68.8 155.21 93.71 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.604 0.716 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 149.07 66.5 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.673 2.249 . . . . 0.0 112.336 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.463 ' O ' ' C ' ' A' ' 15' ' ' ARG . 6.3 t80 -48.35 -66.88 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.467 ' O ' HG23 ' A' ' 19' ' ' ILE . 12.6 ttp180 -33.56 -52.52 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.81 -54.2 31.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.488 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 32.6 mtp180 -58.57 -30.69 67.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.539 HG13 HD11 ' A' ' 32' ' ' LEU . 99.2 t -73.27 -49.36 38.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.635 HG22 HG21 ' A' ' 56' ' ' VAL . 17.6 pt -68.66 -33.64 60.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.733 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 9.0 m80 -65.79 -24.87 67.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.1 mt -89.5 -45.54 9.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.813 HD11 HD23 ' A' ' 53' ' ' LEU . 66.8 mt -63.4 -28.94 70.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.619 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -50.67 -68.38 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.4 mt -41.71 -50.82 4.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.9 pttt -157.94 170.14 22.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.567 ' HB2' HG22 ' A' ' 67' ' ' THR . . . -73.48 135.36 44.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.599 ' HB2' HD23 ' A' ' 22' ' ' LEU . 12.4 m-85 -125.85 147.5 49.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 29' ' ' LYS . 18.2 mttt -89.47 147.95 23.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.582 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.2 tptm -34.25 -55.3 0.84 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.504 0.669 . . . . 0.0 110.876 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.2 Cg_endo -69.78 -48.46 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -56.09 -63.57 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.756 HD12 HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -38.53 -43.64 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.93 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 36' ' ' LEU . 8.7 mt -58.03 -59.04 5.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.448 ' O ' ' CD ' ' A' ' 38' ' ' LYS . . . -35.57 -32.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 33' ' ' LEU . 8.1 mmm180 -77.68 -45.34 25.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 33' ' ' LEU . 29.1 mt -74.96 -54.27 7.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.51 ' NE2' ' HD3' ' A' ' 46' ' ' LYS . 14.3 mm-40 -43.71 -38.92 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.448 ' CD ' ' O ' ' A' ' 34' ' ' ALA . 19.1 mtpt -47.1 -59.02 3.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -72.99 -19.26 61.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.93 122.44 2.63 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.447 HG23 ' HA ' ' A' ' 37' ' ' GLN . 18.5 t -125.76 145.8 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.824 0.345 . . . . 0.0 111.113 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 -90.42 126.03 35.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -50.86 -51.96 46.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.32 -20.82 12.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -91.41 -33.91 15.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.51 ' HD3' ' NE2' ' A' ' 37' ' ' GLN . 40.1 mtmt -49.84 -50.41 45.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -58.68 -36.5 74.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.3 m -73.68 -33.42 64.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.468 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -39.37 -55.45 1.74 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -49.08 -37.3 22.89 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.474 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.65 -41.05 63.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.332 . . . . 0.0 111.103 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.494 ' O ' HG22 ' A' ' 56' ' ' VAL . 66.8 mt -62.58 -46.3 96.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.813 HD23 HD11 ' A' ' 22' ' ' LEU . 27.3 mt -48.3 -33.92 9.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -88.84 -17.91 28.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -86.7 -23.47 25.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.635 HG21 HG22 ' A' ' 19' ' ' ILE . 34.4 m -123.57 -24.28 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.642 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -126.62 177.42 6.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -126.09 133.45 51.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.599 HD23 ' N ' ' A' ' 60' ' ' ASN . 2.2 tt -78.85 132.2 36.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.599 ' N ' HD23 ' A' ' 59' ' ' LEU . 27.3 t30 -109.56 91.42 3.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 60' ' ' ASN . 2.0 m -38.51 -33.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -40.97 -68.38 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -116.84 12.68 14.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.9 mt 59.88 26.12 15.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.1 p -97.47 138.21 35.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.819 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.687 ' CE2' HD13 ' A' ' 53' ' ' LEU . 49.3 m-85 -89.56 127.54 35.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.567 HG22 ' HB2' ' A' ' 26' ' ' ALA . 44.2 p -109.22 124.4 50.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.098 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.619 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.03 128.59 34.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.429 ' HB2' HG23 ' A' ' 72' ' ' VAL . 30.9 mttm -51.14 -175.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.491 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 8.8 t70 -97.38 -41.3 8.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.546 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.8 p90 -67.41 -44.13 79.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.546 HG23 ' CE1' ' A' ' 71' ' ' TYR . 59.4 t -49.19 -32.83 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.147 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.491 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 14.6 m-85 -48.42 -32.77 8.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.27 -28.53 61.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -74.99 -23.64 58.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.405 HD12 HD21 ' A' ' 95' ' ' LEU . 61.2 mt -52.96 175.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -134.67 104.92 6.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.8 mtt180 -53.21 -16.43 1.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -98.31 19.52 14.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.733 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 74.6 t-105 -63.97 120.13 61.16 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.546 0.689 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 2.54 3.44 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.445 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -90.44 -10.84 63.25 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.886 ' CE2' HD13 ' A' ' 91' ' ' LEU . 25.0 m-85 -97.55 114.84 26.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.924 0.392 . . . . 0.0 110.886 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.5 m -67.74 179.09 1.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.855 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -49.48 -22.81 1.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.2 mp -95.64 -56.83 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.134 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.434 ' HB2' ' CA ' ' A' ' 83' ' ' TYR . 42.6 m-20 -41.76 -51.28 4.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.7 mtp-105 -48.0 -51.3 24.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -71.57 -20.64 61.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 m -84.45 -20.7 31.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.886 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.1 -37.46 12.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.576 ' N ' HD23 ' A' ' 91' ' ' LEU . 8.6 pt-20 -54.64 -17.33 3.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 t -84.76 -63.95 1.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.523 ' CG1' ' N ' ' A' ' 95' ' ' LEU . 1.9 p -45.68 -44.88 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.523 ' N ' ' CG1' ' A' ' 94' ' ' VAL . 66.4 mt -62.36 -27.74 69.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t -80.05 -49.28 12.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -65.01 -35.79 82.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.43 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 53.4 mmtt -73.95 -55.22 6.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.401 HD12 ' O ' ' A' ' 95' ' ' LEU . 8.9 mt -81.27 101.11 9.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.919 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.6 m120 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.916 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.846 0.355 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -82.64 -30.25 29.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -75.93 151.29 84.17 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.643 0.735 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.419 ' HG2' ' CG ' ' A' ' 16' ' ' ASP . 53.7 Cg_endo -69.75 141.98 46.72 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.715 2.276 . . . . 0.0 112.315 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.467 ' O ' ' C ' ' A' ' 15' ' ' ARG . 4.4 t80 -43.83 -66.65 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.467 ' C ' ' O ' ' A' ' 14' ' ' TYR . 18.6 ttp180 -32.89 -54.36 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.419 ' CG ' ' HG2' ' A' ' 13' ' ' PRO . 0.9 OUTLIER -53.73 -52.92 58.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.493 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 63.9 mtp180 -56.51 -30.43 63.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.697 HG13 HD11 ' A' ' 32' ' ' LEU . 70.4 t -76.11 -60.5 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.449 HG13 ' N ' ' A' ' 20' ' ' HIS . 28.3 pt -55.83 -40.39 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.587 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 12.9 m80 -58.86 -27.6 65.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 76.4 mt -89.31 -43.38 10.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.748 HD11 HD23 ' A' ' 53' ' ' LEU . 35.5 mt -64.85 -32.71 74.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.687 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -48.67 -63.94 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.8 mt -42.0 -50.43 4.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 22' ' ' LEU . 32.2 pttt -161.56 169.85 20.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.476 ' HB2' HG22 ' A' ' 67' ' ' THR . . . -70.12 133.83 47.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.55 ' HB2' HD23 ' A' ' 22' ' ' LEU . 11.2 m-85 -124.23 153.31 41.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -95.53 147.25 23.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.59 ' CE ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -34.33 -55.39 0.84 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.547 0.689 . . . . 0.0 110.883 179.886 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.4 Cg_endo -69.7 -50.37 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.688 2.259 . . . . 0.0 112.374 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 32' ' ' LEU . 10.5 tt0 -53.86 -64.66 0.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.705 HD12 HD21 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -36.54 -46.9 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.539 HD11 ' NZ ' ' A' ' 29' ' ' LYS . 14.3 mt -56.14 -57.38 12.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.962 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -34.82 -37.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 33' ' ' LEU . 22.2 mmt-85 -75.66 -44.51 42.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 33' ' ' LEU . 50.4 mt -74.05 -57.81 3.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.494 ' NE2' ' HD3' ' A' ' 46' ' ' LYS . 13.1 mm-40 -38.27 -35.92 0.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -45.73 -57.75 4.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.6 -17.7 57.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.15 132.62 3.67 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.446 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.402 HG23 ' HA ' ' A' ' 37' ' ' GLN . 19.2 t -138.59 118.18 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.8 0.333 . . . . 0.0 111.129 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -59.79 142.03 54.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -63.57 -38.61 91.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -66.96 -25.93 66.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -87.89 -27.07 22.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.494 ' HD3' ' NE2' ' A' ' 37' ' ' GLN . 4.8 mtmp? -50.48 -51.25 48.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -70.88 -38.48 73.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.6 m -63.62 -29.96 71.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.59 HD13 ' CE ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -43.93 -45.11 7.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -56.85 -34.2 64.8 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.52 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.42 -45.14 66.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.75 0.309 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.557 ' O ' HG22 ' A' ' 56' ' ' VAL . 52.2 mt -65.02 -42.49 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.748 HD23 HD11 ' A' ' 22' ' ' LEU . 14.1 mt -50.7 -33.12 21.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -88.98 -20.07 24.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -84.98 -27.52 26.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.557 HG22 ' O ' ' A' ' 52' ' ' ILE . 31.8 m -118.2 -26.15 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.605 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -124.57 177.01 6.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -129.66 133.04 46.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.731 HD23 ' N ' ' A' ' 60' ' ' ASN . 1.4 tt -79.76 134.77 36.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.731 ' N ' HD23 ' A' ' 59' ' ' LEU . 7.0 t-20 -109.91 103.01 11.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.7 t -46.29 -24.09 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -48.35 -69.52 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.87 25.64 7.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.57 ' HA ' HD21 ' A' ' 59' ' ' LEU . 6.6 mp 51.76 34.47 13.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.4 p -99.93 129.68 46.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.477 ' CB ' HD22 ' A' ' 53' ' ' LEU . 82.8 m-85 -87.23 118.48 26.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.95 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.476 HG22 ' HB2' ' A' ' 26' ' ' ALA . 35.8 p -101.37 125.09 47.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.687 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.52 128.62 35.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -51.72 -178.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.573 ' HA ' ' CE2' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -89.3 -68.57 0.77 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.6 ' CG ' ' N ' ' A' ' 72' ' ' VAL . 2.8 p90 -44.69 -51.19 9.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.6 ' N ' ' CG ' ' A' ' 71' ' ' TYR . 59.9 t -39.98 -31.36 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.14 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' A' ' 70' ' ' ASP . 18.2 m-85 -50.92 -43.52 59.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 75' ' ' GLU . 11.4 ptmt -62.4 -27.37 69.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 74' ' ' LYS . 23.0 mt-10 -71.54 -35.22 70.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.529 HD12 HD21 ' A' ' 95' ' ' LEU . 83.2 mt -46.54 169.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -136.54 114.19 11.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -57.29 -23.07 46.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -79.16 -15.84 57.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.587 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 72.2 t-105 -41.22 128.47 2.13 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.593 0.711 . . . . 0.0 110.932 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -36.39 10.83 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -44.83 -24.13 0.69 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.51 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.747 ' CE2' HD13 ' A' ' 91' ' ' LEU . 24.5 m-85 -85.83 120.96 27.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.948 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.5 m -84.43 176.9 8.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -44.08 -24.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 87' ' ' ASP . 7.6 mm -96.56 -61.9 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.101 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 86' ' ' ILE . 16.2 m-20 -34.54 -60.7 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -40.79 -59.15 1.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -64.27 -22.91 67.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 87' ' ' ASP . 1.3 t -83.6 -20.8 33.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.804 HD23 ' N ' ' A' ' 92' ' ' GLU . 0.1 OUTLIER -92.03 -46.32 7.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.804 ' N ' HD23 ' A' ' 91' ' ' LEU . 13.8 pt-20 -43.31 -24.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.3 t -72.64 -60.92 2.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 71.3 t -43.49 -63.75 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.529 HD21 HD12 ' A' ' 76' ' ' LEU . 23.9 mt -47.58 -27.07 1.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.3 t -80.02 -40.05 28.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -70.88 -48.22 54.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -65.9 -69.67 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.1 mt -58.69 96.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.913 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.827 0.346 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -85.68 -22.36 27.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -78.83 150.07 74.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.611 0.72 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 14' ' ' TYR . 53.9 Cg_endo -69.8 138.41 37.63 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.713 2.275 . . . . 0.0 112.344 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.454 ' O ' ' C ' ' A' ' 15' ' ' ARG . 4.2 t80 -34.54 -63.17 0.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 14' ' ' TYR . 11.2 ttp180 -33.39 -62.65 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -45.99 -52.73 11.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.487 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 48.1 mtp180 -59.81 -28.74 67.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.7 t -75.58 -55.3 11.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.583 HG22 HG21 ' A' ' 56' ' ' VAL . 12.1 pt -63.46 -42.46 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.638 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 12.0 m80 -54.31 -29.2 46.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.823 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.459 HD13 HD23 ' A' ' 32' ' ' LEU . 77.5 mt -83.39 -48.37 10.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.862 HD11 HD23 ' A' ' 53' ' ' LEU . 38.7 mt -64.16 -27.51 69.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.718 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -50.85 -66.77 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.4 mt -41.15 -50.8 3.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 pttt -160.9 172.74 16.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.06 134.77 48.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.693 ' HB2' HD23 ' A' ' 22' ' ' LEU . 12.2 m-85 -125.54 154.26 42.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -96.47 148.95 22.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.904 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.601 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.0 tptm -35.95 -54.53 1.39 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 0.0 110.959 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.2 Cg_endo -69.83 -50.57 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.723 2.282 . . . . 0.0 112.282 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 32' ' ' LEU . 8.0 tt0 -55.3 -63.74 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.813 HD12 HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -36.93 -43.9 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.946 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 36' ' ' LEU . 10.0 mt -59.88 -58.0 10.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -34.13 -35.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 33' ' ' LEU . 49.3 mmt-85 -71.45 -47.57 54.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 33' ' ' LEU . 14.6 mt -75.31 -53.93 7.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.434 ' HA ' HG23 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -42.49 -26.66 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -60.43 -55.78 29.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -79.29 -13.87 59.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.837 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.8 130.62 3.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.434 HG23 ' HA ' ' A' ' 37' ' ' GLN . 37.2 t -139.39 115.81 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.795 0.331 . . . . 0.0 111.118 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -61.3 153.78 25.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -74.98 -43.15 55.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -26.66 64.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 48' ' ' SER . 1.2 m-20 -86.68 -38.11 17.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -38.64 -41.0 0.65 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -78.88 -37.14 40.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 45' ' ' ASP . 50.1 m -65.54 -22.85 66.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.805 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.526 HD22 ' CD1' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -54.36 -59.38 4.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.87 -31.77 4.24 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.448 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.81 -43.05 31.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.744 0.307 . . . . 0.0 111.094 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.609 ' O ' HG22 ' A' ' 56' ' ' VAL . 66.0 mt -63.27 -42.32 95.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.862 HD23 HD11 ' A' ' 22' ' ' LEU . 14.7 mt -50.65 -33.29 21.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -88.8 -21.84 23.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -82.65 -24.59 33.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 52' ' ' ILE . 34.8 m -123.39 -25.37 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.66 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -123.12 177.28 5.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -130.92 131.03 44.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.76 HD12 ' OH ' ' A' ' 66' ' ' TYR . 2.4 tt -78.55 129.94 35.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.497 ' O ' ' N ' ' A' ' 62' ' ' LYS . 2.1 t-20 -107.64 86.04 2.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 60' ' ' ASN . 10.9 t -34.7 -32.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 60' ' ' ASN . 1.2 tppp? -43.2 -67.22 0.29 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -116.09 16.81 15.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.485 HD23 HD21 ' A' ' 59' ' ' LEU . 7.2 mt 52.3 32.3 10.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.5 p -105.03 133.04 50.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.76 ' OH ' HD12 ' A' ' 59' ' ' LEU . 48.4 m-85 -84.58 121.97 28.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.933 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.8 p -103.94 124.69 49.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.718 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -59.1 126.93 29.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -50.08 179.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.834 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.569 ' HA ' ' CE2' ' A' ' 73' ' ' PHE . 18.0 t70 -91.27 -60.56 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.687 ' CE1' HG23 ' A' ' 72' ' ' VAL . 2.3 p90 -48.64 -48.6 39.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.706 HG11 HD21 ' A' ' 68' ' ' LEU . 54.5 t -42.77 -37.54 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' A' ' 70' ' ' ASP . 19.3 m-85 -44.91 -39.92 5.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -66.4 -31.05 71.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 72' ' ' VAL . 16.1 mt-10 -72.37 -28.33 62.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.573 HD12 HD21 ' A' ' 95' ' ' LEU . 79.4 mt -42.86 166.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -126.65 101.86 6.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.44 ' NH1' ' HB3' ' A' ' 92' ' ' GLU . 7.0 mmm180 -50.06 -22.27 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -95.34 25.71 4.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.638 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 70.4 t-105 -65.1 119.68 60.78 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 121.575 0.702 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 3.4 2.81 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.315 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.429 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -98.02 5.65 61.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.465 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.841 ' CE2' HD13 ' A' ' 91' ' ' LEU . 21.5 m-85 -108.58 119.6 39.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.909 0.385 . . . . 0.0 110.939 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.404 ' N ' ' HB2' ' A' ' 87' ' ' ASP . 3.5 m -76.99 -176.33 3.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -51.71 -29.83 19.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.638 HD12 ' N ' ' A' ' 86' ' ' ILE . 3.4 mp -92.24 -56.9 4.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 90' ' ' SER . 19.4 m-20 -36.64 -61.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -39.83 -58.29 1.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -65.76 -21.24 66.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 87' ' ' ASP . 1.2 t -81.66 -20.8 38.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.841 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.14 -45.04 8.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.737 ' N ' HD23 ' A' ' 91' ' ' LEU . 9.2 pt-20 -44.65 -22.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.4 ' N ' ' C ' ' A' ' 91' ' ' LEU . 36.8 t -74.09 -64.71 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.862 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 73.5 t -38.66 -59.15 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.573 HD21 HD12 ' A' ' 76' ' ' LEU . 26.3 mt -50.02 -39.23 40.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 42.5 t -65.65 -35.07 79.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 -75.15 -49.75 18.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.524 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 68.0 mmtt -69.3 -71.9 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.93 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.552 HD12 ' HB3' ' A' ' 95' ' ' LEU . 17.8 mt -56.68 94.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 99' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.806 0.336 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -55.67 -29.92 60.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -70.63 152.89 95.22 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.598 0.713 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.402 ' HG2' ' CG ' ' A' ' 16' ' ' ASP . 53.5 Cg_endo -69.76 133.99 26.91 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.643 2.229 . . . . 0.0 112.336 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.461 ' O ' ' C ' ' A' ' 15' ' ' ARG . 5.9 t80 -42.17 -63.55 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 14' ' ' TYR . 17.8 ttp180 -33.37 -54.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.402 ' CG ' ' HG2' ' A' ' 13' ' ' PRO . 0.8 OUTLIER -54.95 -57.92 9.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.816 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.472 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 38.3 mtp180 -49.13 -32.02 9.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.529 HG13 HD11 ' A' ' 32' ' ' LEU . 89.4 t -74.38 -65.68 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.466 HG22 ' CG2' ' A' ' 56' ' ' VAL . 21.8 pt -49.96 -42.58 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.652 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 14.5 m80 -54.84 -27.01 39.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.0 mt -89.04 -42.73 11.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.796 HD11 HD23 ' A' ' 53' ' ' LEU . 48.5 mt -64.37 -32.09 73.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.568 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -49.93 -69.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.158 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.3 mt -38.54 -45.01 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.976 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.6 pttt -167.23 166.08 15.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.23 137.15 52.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.091 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.457 ' HB2' HD23 ' A' ' 22' ' ' LEU . 11.7 m-85 -125.57 155.47 40.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -95.31 155.86 16.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.583 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -41.94 -55.59 5.95 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.584 0.707 . . . . 0.0 110.871 179.865 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.77 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.72 2.28 . . . . 0.0 112.343 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 32' ' ' LEU . 20.2 tt0 -53.91 -65.34 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.961 HD12 HD21 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -35.07 -45.81 0.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.558 HD21 HD12 ' A' ' 49' ' ' LEU . 14.6 mt -59.05 -56.57 20.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.415 ' O ' ' CD ' ' A' ' 38' ' ' LYS . . . -37.37 -29.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 33' ' ' LEU . 18.6 mmt180 -79.24 -48.28 14.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 17' ' ' ARG . 15.1 mt -73.37 -54.18 8.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.497 ' HA ' HG23 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -42.9 -34.69 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.415 ' CD ' ' O ' ' A' ' 34' ' ' ALA . 20.0 mtpt -50.28 -58.66 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -75.42 -14.06 60.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.95 131.42 3.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.497 HG23 ' HA ' ' A' ' 37' ' ' GLN . 45.0 t -138.44 119.72 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 0.0 111.122 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -66.38 156.7 33.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -70.74 -45.44 64.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.469 ' CD ' ' H ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -56.09 -29.8 61.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -83.19 -37.21 23.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.411 ' HG3' HG12 ' A' ' 41' ' ' VAL . 30.9 mttt -46.1 -41.98 13.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -73.7 -41.54 62.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.8 m -63.46 -31.48 72.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.574 HD13 ' CE ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -45.33 -66.86 0.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.462 ' N ' ' HZ1' ' A' ' 29' ' ' LYS . . . -43.92 -32.44 2.29 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.42 -38.35 34.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.806 0.336 . . . . 0.0 111.144 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.535 ' O ' HG22 ' A' ' 56' ' ' VAL . 76.1 mt -67.68 -42.55 86.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.961 HD21 HD12 ' A' ' 32' ' ' LEU . 13.6 mt -50.3 -35.92 29.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -87.42 -18.04 30.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.428 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 29.0 mm-40 -87.12 -23.76 24.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 52' ' ' ILE . 23.6 m -122.3 -23.94 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.723 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -125.28 176.71 6.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -127.82 128.34 45.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.686 HD23 ' N ' ' A' ' 60' ' ' ASN . 1.3 tt -78.69 133.83 37.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.686 ' N ' HD23 ' A' ' 59' ' ' LEU . 28.0 t30 -112.22 102.06 10.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.1 t -45.19 -36.14 3.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.4 tptp -41.79 -68.45 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -114.54 21.04 14.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 60' ' ' ASN . 18.4 mt 45.29 31.76 0.88 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.6 p -100.33 146.1 27.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.521 ' CZ ' ' HG ' ' A' ' 59' ' ' LEU . 68.8 m-85 -98.17 119.4 36.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.0 p -102.98 125.3 49.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.163 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.568 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -56.03 129.41 39.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.442 ' HB2' HG23 ' A' ' 72' ' ' VAL . 28.9 mttm -51.29 -176.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.433 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 5.3 p-10 -97.35 -44.71 6.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.521 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.8 p90 -64.89 -42.16 95.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.969 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.536 HG11 HD21 ' A' ' 68' ' ' LEU . 64.6 t -50.13 -34.33 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.463 ' CE1' HD13 ' A' ' 68' ' ' LEU . 16.5 m-85 -48.7 -30.7 5.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.409 ' NZ ' ' HB3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -74.48 -29.09 61.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -72.44 -32.45 66.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.44 HD12 HD21 ' A' ' 95' ' ' LEU . 73.3 mt -44.46 163.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -121.19 104.25 9.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.426 ' NH1' ' HB3' ' A' ' 92' ' ' GLU . 6.9 mmm180 -48.49 -28.77 3.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -90.88 27.54 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.652 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 74.0 t-105 -67.34 121.61 79.47 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.533 0.683 . . . . 0.0 110.939 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -4.56 14.29 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.647 2.231 . . . . 0.0 112.363 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.453 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -86.24 -1.15 86.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.926 ' CE2' HD13 ' A' ' 91' ' ' LEU . 23.2 m-85 -108.25 114.13 27.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.91 0.386 . . . . 0.0 110.927 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.4 m -72.92 177.22 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.897 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -44.99 -23.32 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.715 HD12 ' N ' ' A' ' 86' ' ' ILE . 2.6 mp -94.88 -64.26 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 86' ' ' ILE . 1.4 m-20 -33.9 -55.45 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.8 mtp85 -44.42 -56.07 4.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -67.51 -21.16 65.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 m -84.38 -21.84 30.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.797 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.926 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.06 -37.24 12.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.577 ' N ' HD23 ' A' ' 91' ' ' LEU . 7.1 pt-20 -53.7 -18.35 3.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 96' ' ' SER . 8.9 t -78.48 -68.7 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 98.4 t -36.69 -60.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.129 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.44 HD21 HD12 ' A' ' 76' ' ' LEU . 52.4 mt -51.93 -35.07 44.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 93' ' ' SER . 12.0 t -72.34 -26.59 61.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 97' ' ' ARG . 8.1 mtp-105 -90.98 -21.45 21.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -93.23 -60.94 1.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.21 93.75 0.64 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.5 p30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.951 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.5 p . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.837 0.351 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -70.78 -27.05 63.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -73.16 153.61 90.53 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.612 0.72 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 14' ' ' TYR . 53.4 Cg_endo -69.83 128.3 15.76 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.3 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.501 ' CE2' ' HB3' ' A' ' 45' ' ' ASP . 4.1 t80 -34.36 -65.1 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 14' ' ' TYR . 22.0 ttt-85 -33.7 -58.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.445 ' OD1' ' NH1' ' A' ' 15' ' ' ARG . 0.7 OUTLIER -49.14 -54.05 18.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.49 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 44.4 mtp180 -54.91 -32.43 61.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.42 HG13 HD11 ' A' ' 32' ' ' LEU . 94.4 t -72.18 -62.9 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.469 HG13 ' N ' ' A' ' 20' ' ' HIS . 25.7 pt -54.95 -42.1 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.187 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.767 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 9.5 m80 -56.21 -23.31 34.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.3 mt -90.36 -51.97 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.603 HD11 HD23 ' A' ' 53' ' ' LEU . 13.1 mt -59.3 -30.45 68.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.625 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -48.81 -64.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.421 ' HA ' HD23 ' A' ' 24' ' ' LEU . 12.9 mt -45.75 -45.41 14.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.421 ' HE2' ' CZ ' ' A' ' 27' ' ' TYR . 25.1 pttt -164.82 168.44 17.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.48 139.75 51.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.421 ' CZ ' ' HE2' ' A' ' 25' ' ' LYS . 14.7 m-85 -129.83 156.69 43.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -97.46 149.53 22.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.608 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.3 tptm -36.67 -53.99 1.73 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.544 0.688 . . . . 0.0 110.92 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.608 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.2 Cg_endo -69.77 -49.89 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.384 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -56.93 -64.21 0.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.785 HD12 HD21 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -38.89 -43.75 0.98 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.629 HD21 HD12 ' A' ' 49' ' ' LEU . 9.4 mt -55.96 -63.06 1.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -32.15 -52.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.501 ' HA ' ' CE ' ' A' ' 38' ' ' LYS . 12.9 mmt180 -51.5 -46.34 63.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 33' ' ' LEU . 9.5 mt -76.93 -54.32 6.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.43 -26.73 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.501 ' CE ' ' HA ' ' A' ' 35' ' ' ARG . 29.7 mtmt -51.98 -45.91 64.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.01 -27.4 22.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.06 109.49 1.21 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.449 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.4 t -108.42 137.63 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.323 . . . . 0.0 111.137 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -76.4 153.47 35.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -63.79 -51.88 62.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.8 pttt -52.07 -29.52 21.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.501 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 13.1 m-20 -79.45 -35.81 39.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.4 mtpt -57.5 -41.25 80.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -82.97 -29.9 28.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.4 m -89.35 7.8 33.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.629 HD12 HD21 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -74.57 -68.82 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 49' ' ' LEU . . . -35.87 -31.85 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . -72.6 -48.36 40.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 0.0 111.117 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.514 ' O ' HG22 ' A' ' 56' ' ' VAL . 81.9 mt -59.32 -45.14 93.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.785 HD21 HD12 ' A' ' 32' ' ' LEU . 37.3 mt -51.29 -36.9 44.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -86.33 -12.86 48.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.428 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 6.5 mm100 -92.58 -22.72 19.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 52' ' ' ILE . 30.7 m -124.95 -21.82 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 53' ' ' LEU . . . -126.19 177.35 6.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -129.83 128.31 42.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.787 HD23 ' N ' ' A' ' 60' ' ' ASN . 2.1 tt -79.34 139.19 37.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.787 ' N ' HD23 ' A' ' 59' ' ' LEU . 36.2 t30 -118.37 96.57 5.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m -40.47 -36.6 0.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.44 -65.99 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -117.57 23.08 11.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.0 mt 41.76 37.19 0.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.9 p -106.83 141.2 38.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.51 ' OH ' HD12 ' A' ' 59' ' ' LEU . 48.1 m-85 -93.17 122.76 35.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.0 p -105.53 124.76 50.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.125 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.625 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -57.75 127.59 32.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.428 ' HE3' ' C ' ' A' ' 55' ' ' GLN . 31.5 mttm -49.7 -179.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.569 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 14.2 p-10 -97.49 -39.13 9.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.737 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.5 p90 -67.63 -38.47 83.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.737 HG23 ' CE1' ' A' ' 71' ' ' TYR . 70.5 t -56.85 -30.36 32.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.569 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 14.6 m-85 -50.7 -29.21 10.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -77.72 -32.2 52.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -70.87 -29.51 65.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.7 mt -47.17 171.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -138.61 114.25 9.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 85.7 mtm-85 -58.87 -25.99 63.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -76.06 -0.18 20.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.767 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 70.7 t-105 -54.4 121.86 34.54 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.544 0.688 . . . . 0.0 110.913 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -25.01 28.95 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -58.81 -17.99 37.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.445 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.712 ' CE2' HD13 ' A' ' 91' ' ' LEU . 25.4 m-85 -91.14 116.89 29.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.912 0.387 . . . . 0.0 110.881 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.458 ' N ' ' HB2' ' A' ' 87' ' ' ASP . 41.1 m -71.61 -176.14 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -55.46 -24.96 33.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.736 HD12 ' N ' ' A' ' 86' ' ' ILE . 1.9 mp -96.29 -43.25 12.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.458 ' HB2' ' N ' ' A' ' 84' ' ' SER . 4.8 m-20 -51.94 -56.57 13.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -44.04 -49.96 8.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -73.06 -23.18 60.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 t -80.67 -19.0 46.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.844 HD23 ' N ' ' A' ' 92' ' ' GLU . 0.1 OUTLIER -92.07 -49.44 6.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.918 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.844 ' N ' HD23 ' A' ' 91' ' ' LEU . 10.8 pt-20 -41.13 -29.2 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.6 t -65.89 -67.62 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 97' ' ' ARG . 88.6 t -39.17 -64.36 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 57.2 mt -40.53 -40.17 1.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.9 t -68.98 -40.59 78.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 94' ' ' VAL . 9.4 mmm180 -65.58 -35.96 82.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -85.67 -66.32 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.0 mt -65.76 92.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.409 ' C ' ' OD1' ' A' ' 100' ' ' ASN . 30.0 t-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 t . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.829 0.347 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -42.13 -35.39 0.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.947 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -69.4 147.34 96.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.59 0.71 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 146.51 60.53 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.249 . . . . 0.0 112.339 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.429 ' O ' ' C ' ' A' ' 15' ' ' ARG . 3.2 t80 -42.75 -64.09 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 14' ' ' TYR . 12.0 ttp180 -35.77 -63.75 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -43.41 -56.5 3.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.45 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 26.3 mtp180 -53.38 -33.56 54.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.701 HG13 HD11 ' A' ' 32' ' ' LEU . 69.7 t -75.0 -63.94 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.502 HG22 HG21 ' A' ' 56' ' ' VAL . 8.7 pt -50.23 -39.38 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.565 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 12.6 m80 -61.86 -24.93 67.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 76.1 mt -89.63 -44.03 10.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.626 HD11 HD23 ' A' ' 53' ' ' LEU . 15.5 mt -65.44 -30.25 71.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.972 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.654 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -49.73 -61.18 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.066 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.591 HD11 ' OD2' ' A' ' 87' ' ' ASP . 15.3 mt -46.61 -47.43 19.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 pttt -163.62 169.88 17.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.1 138.49 49.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.432 ' HB2' HD23 ' A' ' 22' ' ' LEU . 11.8 m-85 -127.9 155.96 43.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.82 149.55 22.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.607 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.2 tptm -37.52 -54.08 2.24 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.557 0.694 . . . . 0.0 110.904 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.607 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.4 Cg_endo -69.78 -51.1 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.656 2.238 . . . . 0.0 112.366 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 32' ' ' LEU . 36.4 tt0 -55.39 -64.13 0.94 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.788 HD12 HD21 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -36.27 -44.18 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.94 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.554 HD21 HD12 ' A' ' 49' ' ' LEU . 16.1 mt -60.45 -56.34 22.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -37.73 -27.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 33' ' ' LEU . 21.8 mmt180 -82.73 -48.61 10.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 38' ' ' LYS . 12.2 mt -73.23 -53.53 10.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.495 ' NE2' ' HD3' ' A' ' 46' ' ' LYS . 13.4 mm-40 -38.57 -27.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 36' ' ' LEU . 18.8 mtpp -65.18 -52.97 51.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -68.96 -16.13 63.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.91 102.13 2.23 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.435 HG23 ' HA ' ' A' ' 37' ' ' GLN . 15.5 t -106.75 149.52 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.36 . . . . 0.0 111.099 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -96.94 130.35 44.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -52.24 -39.24 60.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.8 pttt -64.02 -31.32 72.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -84.01 -33.23 24.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.495 ' HD3' ' NE2' ' A' ' 37' ' ' GLN . 35.8 mtmt -43.63 -40.36 4.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -77.13 -40.25 46.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.1 p -64.85 -28.74 69.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.554 HD12 HD21 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -45.03 -60.67 1.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -43.96 -40.91 5.77 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.505 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.66 -46.16 76.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.767 0.318 . . . . 0.0 111.089 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 55' ' ' GLN . 70.5 mt -60.56 -49.32 84.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.179 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.788 HD21 HD12 ' A' ' 32' ' ' LEU . 33.6 mt -43.73 -33.08 1.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -88.87 -23.69 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 52' ' ' ILE . 23.5 mt-30 -79.69 -23.73 42.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.502 HG21 HG22 ' A' ' 19' ' ' ILE . 36.0 m -124.37 -23.04 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 53' ' ' LEU . . . -125.11 177.38 6.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -129.65 130.06 45.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.693 HD23 ' N ' ' A' ' 60' ' ' ASN . 1.5 tt -78.61 137.45 37.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.693 ' N ' HD23 ' A' ' 59' ' ' LEU . 2.4 t-20 -117.53 95.52 4.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.5 m -39.37 -35.18 0.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -41.06 -68.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -117.33 27.46 9.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 21.9 mt 39.47 40.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 86.8 p -110.21 145.25 37.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.819 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.658 ' CE2' HD13 ' A' ' 53' ' ' LEU . 48.4 m-85 -95.86 122.68 38.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.2 p -104.68 124.65 49.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.654 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -58.07 128.42 37.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.42 ' HE3' ' C ' ' A' ' 55' ' ' GLN . 30.3 mttm -51.07 -178.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.543 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 3.6 t0 -97.25 -39.42 9.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.726 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.5 p90 -67.3 -42.15 84.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.883 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.726 HG23 ' CE1' ' A' ' 71' ' ' TYR . 66.0 t -51.87 -32.98 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.555 ' CE2' ' HG3' ' A' ' 98' ' ' LYS . 15.6 m-85 -48.42 -32.86 8.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -73.88 -30.6 62.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -73.99 -25.16 59.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.435 HD23 HG13 ' A' ' 19' ' ' ILE . 69.8 mt -50.23 178.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -135.99 120.42 18.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.6 mtm180 -63.57 -28.13 69.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -91.15 27.45 1.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.565 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 74.2 t-105 -70.39 120.88 81.31 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.552 0.691 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -1.35 8.32 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.298 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.46 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -87.93 -8.31 72.85 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.86 ' CE2' HD13 ' A' ' 91' ' ' LEU . 25.0 m-85 -101.61 114.86 29.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.0 110.934 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.5 m -67.58 177.26 2.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -47.8 -28.23 2.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.569 HD12 ' N ' ' A' ' 86' ' ' ILE . 3.8 mp -90.1 -56.78 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.168 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.591 ' OD2' HD11 ' A' ' 24' ' ' LEU . 4.4 m-20 -39.4 -56.67 1.54 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.828 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -43.13 -49.75 6.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -76.49 -17.06 59.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 87' ' ' ASP . 1.8 t -87.99 -18.93 27.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.86 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.01 -32.77 15.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.488 ' N ' HD23 ' A' ' 91' ' ' LEU . 15.7 pt-20 -58.04 -13.26 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.3 t -82.62 -61.74 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 97' ' ' ARG . 69.7 t -43.34 -61.88 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.149 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.401 ' HB3' HD12 ' A' ' 99' ' ' LEU . 36.5 mt -42.8 -44.27 4.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.7 t -65.62 -33.34 75.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 94' ' ' VAL . 11.2 mmm180 -72.83 -37.36 67.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.555 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 51.9 mmtt -86.86 -67.42 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.401 HD12 ' HB3' ' A' ' 95' ' ' LEU . 34.2 mt -61.49 95.38 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.932 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.406 ' HA ' ' NH1' ' A' ' 17' ' ' ARG . 87.6 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.869 0.366 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -64.02 -33.14 75.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.433 ' HG3' ' CZ3' ' A' ' 80' ' ' TRP . 39.8 mmt180 -67.96 153.19 95.66 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.628 0.727 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 136.34 32.76 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.688 2.259 . . . . 0.0 112.377 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.467 ' CD2' ' HB3' ' A' ' 45' ' ' ASP . 5.6 t80 -40.24 -64.2 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.971 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 14' ' ' TYR . 18.2 ttm180 -33.73 -54.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.76 -54.13 48.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.406 ' NH1' ' HA ' ' A' ' 10' ' ' SER . 55.7 mtp180 -53.44 -28.72 31.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.3 t -77.81 -63.24 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.6 HG22 HG21 ' A' ' 56' ' ' VAL . 9.5 pt -53.88 -45.2 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.564 ' CD2' ' CG ' ' A' ' 80' ' ' TRP . 14.0 m80 -53.6 -29.51 38.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.6 mt -82.72 -49.52 9.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.822 HD11 HD23 ' A' ' 53' ' ' LEU . 46.4 mt -60.42 -28.88 68.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.65 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -50.97 -66.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.3 mt -41.86 -51.49 4.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.6 pttt -159.94 170.15 21.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.89 134.41 48.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.056 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.582 ' HB2' HD23 ' A' ' 22' ' ' LEU . 12.6 m-85 -125.32 153.08 43.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 29' ' ' LYS . 25.0 mttt -96.67 148.59 22.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.59 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.2 tptm -34.73 -54.99 0.95 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.6 0.714 . . . . 0.0 110.876 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.59 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.8 Cg_endo -69.7 -50.76 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.329 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 32' ' ' LEU . 10.5 tt0 -55.22 -63.96 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.784 HD12 HD21 ' A' ' 53' ' ' LEU . 0.9 OUTLIER -37.74 -44.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.928 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 36' ' ' LEU . 13.6 mt -58.8 -57.71 11.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -32.8 -39.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 33' ' ' LEU . 16.3 mmm180 -70.97 -49.15 48.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.522 ' C ' HG23 ' A' ' 41' ' ' VAL . 8.6 mt -67.85 -54.59 17.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.415 ' N ' HG23 ' A' ' 41' ' ' VAL . 17.9 mm-40 -50.04 -38.47 37.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.957 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -49.8 -48.5 50.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -84.6 -19.53 32.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.41 119.21 2.22 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.481 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.522 HG23 ' C ' ' A' ' 36' ' ' LEU . 18.4 t -127.63 132.24 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.338 . . . . 0.0 111.137 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -86.69 131.85 34.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -43.37 -53.33 5.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.6 pttt -46.99 -35.44 6.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.467 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 15.8 m-20 -84.09 -42.3 16.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.824 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -26.56 68.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -80.27 -35.08 36.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 m -93.69 12.27 26.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.459 HD12 HD21 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -66.1 -66.33 0.56 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 49' ' ' LEU . . . -35.95 -35.13 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.486 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.42 -50.77 28.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.751 0.31 . . . . 0.0 111.082 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.506 ' O ' HG22 ' A' ' 56' ' ' VAL . 86.9 mt -55.64 -44.52 77.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.163 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.822 HD23 HD11 ' A' ' 22' ' ' LEU . 15.0 mt -51.69 -37.21 49.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.52 -13.22 49.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -93.48 -22.61 18.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.6 HG21 HG22 ' A' ' 19' ' ' ILE . 19.9 m -122.51 -26.96 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.787 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -124.2 177.34 5.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -128.41 130.97 48.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.806 HD12 ' OH ' ' A' ' 66' ' ' TYR . 2.9 tt -78.7 129.19 34.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 62' ' ' LYS . 3.4 t-20 -106.26 85.6 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 60' ' ' ASN . 35.1 t -34.25 -34.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 60' ' ' ASN . 32.3 tptt -43.27 -64.34 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -116.22 17.33 15.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.812 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.554 HD23 HD21 ' A' ' 59' ' ' LEU . 8.1 mt 48.8 35.0 5.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.8 p -108.47 137.49 46.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.806 ' OH ' HD12 ' A' ' 59' ' ' LEU . 46.7 m-85 -87.96 123.1 32.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.911 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 47.7 p -106.52 124.49 49.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.65 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.65 126.51 25.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.901 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.428 ' HB2' HG23 ' A' ' 72' ' ' VAL . 34.0 mttt -49.82 -179.05 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.497 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 21.6 m-20 -94.88 -42.94 8.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.558 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.7 p90 -64.14 -45.15 89.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.558 HG23 ' CE1' ' A' ' 71' ' ' TYR . 60.0 t -48.27 -38.31 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.497 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 14.5 m-85 -43.58 -37.59 2.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.436 ' NZ ' ' HB2' ' A' ' 71' ' ' TYR . 5.3 ptpp? -69.78 -32.88 71.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 72' ' ' VAL . 30.4 mt-10 -69.35 -30.34 68.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.623 HD12 HD21 ' A' ' 95' ' ' LEU . 93.2 mt -41.31 162.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 80' ' ' TRP . 27.2 mt-30 -119.01 100.26 7.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.933 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.5 mtm-85 -45.82 -22.99 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -96.3 27.22 3.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.568 ' HB3' ' CD2' ' A' ' 83' ' ' TYR . 69.7 t-105 -69.12 115.5 32.51 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.568 0.699 . . . . 0.0 110.91 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -1.24 8.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.732 2.288 . . . . 0.0 112.328 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.462 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -92.72 17.16 58.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.818 ' CE2' HD13 ' A' ' 91' ' ' LEU . 22.0 m-85 -119.91 114.04 21.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.865 0.364 . . . . 0.0 110.939 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 70.0 m -65.75 167.89 8.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -42.88 -25.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 10.5 mm -92.81 -58.18 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -39.85 -54.52 2.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -45.42 -55.09 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -67.94 -21.94 65.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.5 m -82.94 -21.46 34.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.818 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.02 -42.63 9.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.948 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.699 ' N ' HD23 ' A' ' 91' ' ' LEU . 7.1 pt-20 -47.03 -22.76 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 96' ' ' SER . 35.9 t -80.61 -60.15 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.803 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 84.4 t -39.92 -47.44 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.164 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.623 HD21 HD12 ' A' ' 76' ' ' LEU . 30.8 mt -61.11 -35.56 77.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 93' ' ' SER . 12.3 t -71.57 -39.73 70.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.2 mtp85 -68.59 -50.43 51.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -64.01 -67.85 0.4 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.1 mt -60.02 94.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.5 p30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.88 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.82 0.343 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -54.02 -32.61 54.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 46.1 mmt-85 -71.74 152.09 93.39 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.574 0.702 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.41 ' HG2' ' CG ' ' A' ' 16' ' ' ASP . 53.3 Cg_endo -69.75 142.11 47.11 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.729 2.286 . . . . 0.0 112.327 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.459 ' O ' ' C ' ' A' ' 15' ' ' ARG . 5.9 t80 -47.53 -64.75 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 14' ' ' TYR . 14.0 ttm180 -33.58 -50.01 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.41 ' CG ' ' HG2' ' A' ' 13' ' ' PRO . 59.8 m-20 -58.48 -59.44 5.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -49.59 -28.86 6.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.599 HG13 HD11 ' A' ' 32' ' ' LEU . 48.2 t -76.31 -62.13 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.486 HG13 ' N ' ' A' ' 20' ' ' HIS . 19.9 pt -53.96 -45.67 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.559 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 23.4 m80 -52.88 -28.55 23.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.2 mt -86.05 -42.85 13.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.948 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.797 HD13 ' HB2' ' A' ' 57' ' ' ALA . 62.1 mt -64.87 -32.15 73.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.976 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.53 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -51.35 -69.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.099 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.545 HD11 ' HB3' ' A' ' 87' ' ' ASP . 18.9 mt -37.7 -43.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.8 pttt -170.1 167.71 8.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.459 ' HB2' HG22 ' A' ' 67' ' ' THR . . . -69.34 135.82 50.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.605 ' HB2' HD23 ' A' ' 22' ' ' LEU . 12.4 m-85 -124.81 153.13 42.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 29' ' ' LYS . 1.1 mptt -95.38 150.3 20.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.59 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -36.96 -54.97 1.7 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.625 0.726 . . . . 0.0 110.897 179.892 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.59 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.5 Cg_endo -69.84 -50.57 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.693 2.262 . . . . 0.0 112.326 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 32' ' ' LEU . 19.9 tt0 -53.74 -65.01 0.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.908 HD12 HD21 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -36.9 -47.3 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 36' ' ' LEU . 12.6 mt -55.03 -57.61 11.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -34.58 -39.35 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.081 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -71.23 -44.94 64.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 33' ' ' LEU . 11.2 mt -73.52 -57.31 4.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.438 ' NE2' ' HD3' ' A' ' 46' ' ' LYS . 20.9 mm-40 -43.49 -30.14 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.8 mttt -56.21 -55.31 34.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -75.35 -26.47 58.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.61 119.94 2.09 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.1 t -122.78 139.2 50.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.828 0.347 . . . . 0.0 111.111 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -87.63 125.09 34.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -46.57 -43.22 17.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -61.3 -28.53 69.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -84.09 -30.25 26.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.817 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.438 ' HD3' ' NE2' ' A' ' 37' ' ' GLN . 37.7 mtmt -50.76 -33.23 22.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -76.77 -35.73 57.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 99.2 p -73.05 -31.88 64.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.552 HD13 ' CE ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -44.96 -58.69 2.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.12 -37.89 38.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.47 -41.78 68.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.747 0.308 . . . . 0.0 111.086 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' GLN . 49.5 mt -63.56 -47.55 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.908 HD21 HD12 ' A' ' 32' ' ' LEU . 18.8 mt -45.32 -37.59 4.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -85.81 -19.41 30.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 52' ' ' ILE . 15.2 mm100 -84.91 -24.03 28.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 52' ' ' ILE . 32.5 m -123.36 -23.37 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.13 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.797 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -123.36 177.1 5.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -131.54 127.12 36.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.825 HD23 ' N ' ' A' ' 60' ' ' ASN . 2.6 tt -81.39 132.75 35.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.825 ' N ' HD23 ' A' ' 59' ' ' LEU . 4.8 t-20 -109.3 94.27 4.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 60' ' ' ASN . 58.4 m -35.6 -35.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 60' ' ' ASN . 26.0 tttt -41.67 -68.65 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -111.99 8.4 20.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.68 ' HA ' HD21 ' A' ' 59' ' ' LEU . 26.9 mt 57.44 27.56 14.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 96.6 p -97.45 139.75 32.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.56 ' OH ' HD12 ' A' ' 59' ' ' LEU . 67.7 m-85 -91.78 117.04 29.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.459 HG22 ' HB2' ' A' ' 26' ' ' ALA . 42.2 p -102.73 125.02 49.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.14 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.53 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -54.77 130.53 41.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.43 ' HB2' HG23 ' A' ' 72' ' ' VAL . 28.2 mttm -52.56 -175.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.476 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 63.9 m-20 -97.36 -44.45 6.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.528 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.9 p90 -64.9 -43.4 93.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.528 HG23 ' CE1' ' A' ' 71' ' ' TYR . 58.0 t -49.08 -33.48 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.122 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.517 ' CE1' HD13 ' A' ' 68' ' ' LEU . 16.1 m-85 -49.4 -31.59 9.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -74.9 -28.03 60.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -74.55 -28.58 61.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.449 HD12 HD21 ' A' ' 95' ' ' LEU . 76.2 mt -46.65 173.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.952 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' A' ' 80' ' ' TRP . 49.8 mt-30 -129.9 103.58 6.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -48.04 -25.53 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -91.47 25.63 2.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.559 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 70.5 t-105 -67.77 117.57 49.37 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.54 0.686 . . . . 0.0 110.886 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -11.64 31.24 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.96 -4.42 82.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.516 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.916 ' CE2' HD13 ' A' ' 91' ' ' LEU . 23.9 m-85 -103.09 114.04 28.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 110.97 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.9 m -71.74 -177.09 1.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -50.92 -22.82 2.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.673 HD12 ' N ' ' A' ' 86' ' ' ILE . 2.9 mp -95.23 -64.13 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.545 ' HB3' HD11 ' A' ' 24' ' ' LEU . 9.0 m-20 -34.57 -55.84 0.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.409 ' NH1' ' HB3' ' A' ' 88' ' ' ARG . 9.3 mtp-105 -44.68 -57.16 3.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -65.52 -21.15 66.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 m -83.55 -22.95 32.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.916 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.01 -45.63 8.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.925 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.787 ' N ' HD23 ' A' ' 91' ' ' LEU . 17.8 pt-20 -41.95 -34.75 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.83 -52.66 16.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.8 t -46.07 -57.45 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.093 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.487 ' HB3' HD12 ' A' ' 99' ' ' LEU . 31.4 mt -56.24 -31.34 63.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 44.0 t -72.49 -42.58 64.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -72.76 -28.4 62.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.808 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -85.75 -62.69 1.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.487 HD12 ' HB3' ' A' ' 95' ' ' LEU . 8.6 mt -71.04 96.51 1.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.8 m120 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.893 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.8 t . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.838 0.352 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -45.67 -36.64 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.8 mmt-85 -68.2 152.34 96.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.716 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.423 ' HG2' ' CG ' ' A' ' 16' ' ' ASP . 54.2 Cg_endo -69.75 149.33 66.83 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.388 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.443 ' O ' ' C ' ' A' ' 15' ' ' ARG . 4.4 t80 -52.47 -64.64 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 14' ' ' TYR . 7.5 ttp180 -33.85 -57.68 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.423 ' CG ' ' HG2' ' A' ' 13' ' ' PRO . 6.4 m-20 -46.33 -63.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 -49.13 -35.29 16.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.484 HG13 HD11 ' A' ' 32' ' ' LEU . 86.0 t -69.86 -63.16 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.523 HG22 ' HB ' ' A' ' 56' ' ' VAL . 50.6 pt -52.69 -37.53 25.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.522 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 15.0 m80 -60.75 -40.92 94.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.7 mt -72.04 -43.9 64.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.728 HD11 HD23 ' A' ' 53' ' ' LEU . 85.9 mt -67.12 -28.66 68.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.768 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -51.07 -70.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.06 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 24' ' ' LEU . 11.8 mt -41.01 -49.91 3.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.417 ' HE2' ' CE1' ' A' ' 27' ' ' TYR . 21.7 pttt -158.77 171.37 20.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.75 138.46 42.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.659 ' HB2' HD23 ' A' ' 22' ' ' LEU . 13.2 m-85 -127.1 151.98 47.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 29' ' ' LYS . 19.0 mttt -93.25 148.75 21.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.598 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 3.3 tptm -35.51 -54.48 1.22 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.539 0.685 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.4 Cg_endo -69.75 -50.93 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.341 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 32' ' ' LEU . 10.8 tp10 -55.14 -63.68 1.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.766 HD12 HD21 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -38.37 -45.16 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.538 HD21 HD12 ' A' ' 49' ' ' LEU . 12.3 mt -57.01 -59.9 4.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -33.02 -42.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 72.7 mmt-85 -66.99 -47.72 70.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 33' ' ' LEU . 70.2 mt -71.89 -56.82 5.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -42.02 -37.82 1.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -48.84 -57.46 6.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.45 -20.77 58.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.1 126.33 2.87 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.456 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.2 t -130.84 126.83 60.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.362 . . . . 0.0 111.106 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' A' ' 43' ' ' GLN . 39.8 t-20 -70.46 146.24 50.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.403 ' N ' ' OD1' ' A' ' 42' ' ' ASN . 19.9 tt0 -62.17 -51.32 68.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.27 -18.32 6.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.868 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.49 -32.99 13.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.4 mttt -48.74 -36.41 16.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -87.46 -37.32 17.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.4 p -69.49 -8.54 47.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.538 HD12 HD21 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -64.64 -61.64 2.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -43.74 -35.41 3.14 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.546 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.15 -52.23 25.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.744 0.306 . . . . 0.0 111.095 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.518 ' O ' HG22 ' A' ' 56' ' ' VAL . 47.4 mt -56.73 -45.7 82.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.766 HD21 HD12 ' A' ' 32' ' ' LEU . 24.1 mt -46.79 -34.62 5.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -88.74 -19.86 25.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.445 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 34.4 mt-30 -84.1 -22.58 31.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.523 ' HB ' HG22 ' A' ' 19' ' ' ILE . 26.8 m -125.99 -22.01 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.081 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.675 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -128.09 176.71 7.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -133.47 129.74 37.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.895 HD12 ' CZ ' ' A' ' 66' ' ' TYR . 4.2 tt -78.55 131.18 36.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.579 ' N ' HD23 ' A' ' 59' ' ' LEU . 9.5 t-20 -105.57 93.34 4.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.2 m -38.77 -27.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 60' ' ' ASN . 7.9 tptm -53.56 -65.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -110.54 18.85 19.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.8 mt 44.93 25.04 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.0 p -102.78 140.66 36.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.895 ' CZ ' HD12 ' A' ' 59' ' ' LEU . 62.3 m-85 -87.46 122.56 31.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 36.3 p -104.43 124.98 50.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.156 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.768 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.17 131.09 44.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.464 ' HD3' ' CE2' ' A' ' 71' ' ' TYR . 30.0 mttm -55.23 -175.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.498 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 7.3 t70 -91.97 -66.72 0.9 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.572 ' CD1' ' N ' ' A' ' 72' ' ' VAL . 43.9 p90 -46.68 -48.68 20.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.572 HG11 HD21 ' A' ' 68' ' ' LEU . 61.5 t -42.21 -27.87 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.171 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.498 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 19.5 m-85 -55.89 -42.87 76.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 71' ' ' TYR . 4.9 ptpt -72.97 -2.46 21.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -99.2 -19.29 17.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.484 HD12 HD21 ' A' ' 95' ' ' LEU . 19.1 mt -61.11 -175.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 80' ' ' TRP . 20.1 mm-40 -137.73 120.64 16.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.36 -37.27 86.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -82.26 17.94 1.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.577 ' CE3' ' HD2' ' A' ' 81' ' ' PRO . 74.0 t-105 -57.77 127.35 78.54 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.586 0.707 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.577 ' HD2' ' CE3' ' A' ' 80' ' ' TRP . 53.7 Cg_endo -69.84 3.57 2.74 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.697 2.265 . . . . 0.0 112.323 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.466 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -98.5 -0.83 57.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.526 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.897 ' CE2' HD13 ' A' ' 91' ' ' LEU . 23.4 m-85 -113.51 118.54 34.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.869 0.366 . . . . 0.0 110.961 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.7 m -72.1 -178.64 2.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.836 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -48.82 -24.6 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.455 ' O ' ' C ' ' A' ' 87' ' ' ASP . 5.4 mp -95.34 -64.49 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 86' ' ' ILE . 83.8 m-20 -33.89 -53.81 0.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.461 ' N ' ' HB3' ' A' ' 83' ' ' TYR . 60.6 mtp180 -45.32 -49.88 12.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -75.92 -19.4 58.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.864 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.7 t -83.53 -23.17 32.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.897 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -88.04 -52.59 5.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.887 ' N ' HD23 ' A' ' 91' ' ' LEU . 7.8 pt-20 -43.11 -23.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 91' ' ' LEU . 22.9 t -68.7 -54.96 13.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 92.0 t -54.25 -53.66 27.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.484 HD21 HD12 ' A' ' 76' ' ' LEU . 30.6 mt -51.93 -34.89 43.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 34.8 t -70.62 -52.19 23.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 -60.35 -53.17 60.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -56.19 -60.47 3.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 46.1 mt -62.21 97.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 15.2 p30 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.947 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.841 0.353 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -42.11 -33.81 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -69.12 151.69 97.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.585 0.707 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 139.12 39.41 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.245 . . . . 0.0 112.37 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.452 ' O ' ' C ' ' A' ' 15' ' ' ARG . 3.7 t80 -44.58 -61.33 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.488 ' HA ' HG21 ' A' ' 52' ' ' ILE . 11.5 ttm105 -33.68 -64.52 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -49.4 -53.05 24.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -51.56 -30.9 22.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.416 HG13 HD11 ' A' ' 32' ' ' LEU . 90.1 t -78.61 -65.7 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.524 HG22 HG21 ' A' ' 56' ' ' VAL . 8.2 pt -48.41 -46.46 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.742 ' CD2' ' CG ' ' A' ' 80' ' ' TRP . 12.8 m80 -51.45 -27.17 9.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.83 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.8 mt -87.25 -48.59 7.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.718 HD13 ' HB2' ' A' ' 57' ' ' ALA . 23.5 mt -60.84 -30.68 70.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.7 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -48.94 -64.44 0.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.6 mt -43.31 -52.71 5.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 22' ' ' LEU . 37.3 pttt -157.24 171.72 19.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.54 136.78 47.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.597 ' HB2' HD23 ' A' ' 22' ' ' LEU . 14.6 m-85 -127.79 150.34 49.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -94.18 162.8 13.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.71 ' CE ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -46.72 -54.57 18.6 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.621 0.724 . . . . 0.0 110.903 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.7 Cg_endo -69.76 -50.76 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.653 2.235 . . . . 0.0 112.374 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -55.7 -63.21 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.807 HD12 HD21 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -40.61 -43.55 1.93 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 36' ' ' LEU . 10.0 mt -56.4 -63.16 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -31.87 -52.91 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.498 ' HA ' ' CE ' ' A' ' 38' ' ' LYS . 9.2 mmm180 -52.97 -46.8 68.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 33' ' ' LEU . 24.3 mt -73.69 -55.09 6.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -49.43 -29.15 6.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.498 ' CE ' ' HA ' ' A' ' 35' ' ' ARG . 19.6 mtmt -53.49 -34.77 59.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.39 -6.26 23.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.29 120.77 3.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.487 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.3 t -126.35 120.63 57.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 0.0 111.117 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -69.32 146.88 51.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -60.88 -46.49 90.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -51.4 -44.07 62.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -80.11 -22.57 42.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.9 ttpp -56.92 -52.59 64.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -66.04 -37.41 85.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 60.0 m -64.05 -28.18 69.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.71 HD13 ' CE ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -44.66 -61.42 1.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.05 -33.34 6.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.493 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.8 -41.38 60.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.322 . . . . 0.0 111.073 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.604 ' O ' HG22 ' A' ' 56' ' ' VAL . 84.7 mt -67.48 -41.55 86.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.807 HD21 HD12 ' A' ' 32' ' ' LEU . 12.7 mt -52.0 -35.07 45.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -89.41 -15.37 33.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -90.84 -24.22 20.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 52' ' ' ILE . 21.3 m -119.94 -28.97 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.718 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -122.29 177.17 5.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.099 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -129.16 129.8 45.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.709 HD23 ' N ' ' A' ' 60' ' ' ASN . 1.5 tt -79.05 133.87 36.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.709 ' N ' HD23 ' A' ' 59' ' ' LEU . 3.7 t-20 -113.45 102.22 10.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.0 m -46.04 -29.69 1.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -46.98 -66.6 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -118.37 22.25 12.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.8 mt 45.39 31.44 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.6 p -102.92 136.28 43.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.519 ' CZ ' ' HG ' ' A' ' 59' ' ' LEU . 80.5 m-85 -89.32 120.32 30.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.933 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.3 p -102.29 124.75 48.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.136 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.7 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -54.85 127.86 30.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -51.58 -174.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.54 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 9.5 p-10 -95.87 -60.41 1.65 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.899 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.493 ' CG ' ' N ' ' A' ' 72' ' ' VAL . 1.8 p90 -50.43 -44.29 55.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.581 HG11 HD21 ' A' ' 68' ' ' LEU . 97.1 t -46.31 -37.47 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.54 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 25.8 m-85 -46.88 -33.94 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -70.99 -31.65 68.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -68.92 -36.94 78.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.458 HD12 HD21 ' A' ' 95' ' ' LEU . 81.3 mt -40.99 151.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 80' ' ' TRP . 36.6 mt-30 -111.38 105.53 14.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -45.82 -24.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -94.51 27.26 3.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.742 ' CG ' ' CD2' ' A' ' 20' ' ' HIS . 68.2 t-105 -68.24 113.38 14.87 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.547 0.689 . . . . 0.0 110.953 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 1.88 4.04 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.653 2.236 . . . . 0.0 112.38 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.451 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -96.75 22.13 42.11 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.803 ' CE2' HD13 ' A' ' 91' ' ' LEU . 15.5 m-85 -121.65 120.47 34.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.871 0.367 . . . . 0.0 110.946 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 86' ' ' ILE . 59.3 m -66.04 161.38 21.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -39.92 -29.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.441 HD12 ' N ' ' A' ' 86' ' ' ILE . 4.6 mp -91.88 -52.78 9.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.4 ' HB2' ' N ' ' A' ' 84' ' ' SER . 64.7 m-20 -41.02 -56.75 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -43.71 -57.5 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -65.29 -22.15 66.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 m -83.54 -16.54 45.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.813 HD23 ' N ' ' A' ' 92' ' ' GLU . 0.1 OUTLIER -91.98 -48.17 6.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.813 ' N ' HD23 ' A' ' 91' ' ' LEU . 9.9 pt-20 -43.28 -23.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 91' ' ' LEU . 29.1 t -75.36 -58.61 3.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 70.9 t -44.16 -51.5 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.074 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.521 ' HB3' HD12 ' A' ' 99' ' ' LEU . 21.1 mt -60.21 -29.48 68.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.3 t -73.49 -37.91 65.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 97' ' ' ARG . 5.3 mtp-105 -77.24 -44.25 30.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -70.96 -65.62 0.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.521 HD12 ' HB3' ' A' ' 95' ' ' LEU . 11.3 mt -71.44 93.94 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.905 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.2 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.784 0.326 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -63.89 -34.11 77.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.6 mmp_? -69.6 153.52 95.62 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.626 0.727 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.402 ' C ' ' HE ' ' A' ' 17' ' ' ARG . 54.1 Cg_endo -69.76 147.91 63.92 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.688 ' N ' HH21 ' A' ' 17' ' ' ARG . 3.2 t80 -52.93 -59.17 4.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 14' ' ' TYR . 12.7 ttp180 -36.74 -64.5 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.01 -54.85 7.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.688 HH21 ' N ' ' A' ' 14' ' ' TYR . 53.3 mtm180 -47.62 -42.34 23.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.932 HG13 HD11 ' A' ' 32' ' ' LEU . 97.5 t -67.94 -65.68 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.656 HG22 HG21 ' A' ' 56' ' ' VAL . 6.6 pt -50.98 -28.75 6.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.082 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.583 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 7.0 m80 -72.26 -27.15 62.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 45.7 mt -89.53 -41.63 11.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.83 HD11 HD23 ' A' ' 53' ' ' LEU . 75.0 mt -66.1 -29.51 69.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.669 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -52.31 -62.57 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.094 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 86.9 mt -45.36 -51.67 10.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.941 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -158.8 174.74 14.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.44 133.53 42.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.113 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.605 ' HB2' HD23 ' A' ' 22' ' ' LEU . 10.3 m-85 -124.69 143.16 50.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.017 0.437 . . . . 0.0 110.901 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 29' ' ' LYS . 8.7 mptt -86.23 149.09 25.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.609 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.7 tptm -36.25 -54.15 1.55 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.596 0.713 . . . . 0.0 110.866 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.609 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.1 Cg_endo -69.78 -46.98 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.704 2.269 . . . . 0.0 112.33 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -57.28 -63.18 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.932 HD11 HG13 ' A' ' 18' ' ' VAL . 0.6 OUTLIER -39.71 -41.35 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 35' ' ' ARG . 10.0 mt -59.95 -56.17 24.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.464 ' O ' ' CD ' ' A' ' 38' ' ' LYS . . . -35.77 -30.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 33' ' ' LEU . 37.7 mmt-85 -78.56 -47.63 16.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.817 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.548 ' C ' HG23 ' A' ' 41' ' ' VAL . 6.9 mt -72.11 -51.52 21.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.495 ' N ' HG23 ' A' ' 41' ' ' VAL . 15.2 mm-40 -47.43 -32.86 5.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.464 ' CD ' ' O ' ' A' ' 34' ' ' ALA . 21.0 mtpt -57.75 -55.43 35.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.57 -30.77 66.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.42 102.41 0.84 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.548 HG23 ' C ' ' A' ' 36' ' ' LEU . 18.6 t -101.04 126.9 54.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.857 0.361 . . . . 0.0 111.159 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -71.11 126.76 30.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -39.15 -38.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.422 ' CE ' ' O ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -61.33 -55.27 33.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.564 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 4.1 m-20 -56.3 -42.24 77.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.465 ' HG2' ' CG1' ' A' ' 41' ' ' VAL . 54.7 mttt -38.8 -26.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 45' ' ' ASP . 50.5 m-20 -99.26 -38.4 8.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 m -61.67 -38.23 86.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.641 HD22 ' CD1' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -37.32 -67.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -39.88 -33.79 0.46 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.514 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.22 -39.55 32.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.739 0.304 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.62 ' O ' HG22 ' A' ' 56' ' ' VAL . 70.3 mt -66.71 -41.75 88.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.836 HD21 HD12 ' A' ' 32' ' ' LEU . 12.4 mt -53.42 -36.96 62.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -87.49 -11.96 47.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.416 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 18.3 mm-40 -94.8 -21.66 18.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.656 HG21 HG22 ' A' ' 19' ' ' ILE . 23.6 m -125.22 -23.74 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.729 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -125.79 177.37 6.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.067 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -127.8 130.73 49.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.753 HD23 ' N ' ' A' ' 60' ' ' ASN . 2.3 tt -79.96 137.19 36.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.753 ' N ' HD23 ' A' ' 59' ' ' LEU . 12.7 t-20 -115.51 99.44 7.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.8 p -43.83 -32.82 1.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.5 tttt -43.27 -69.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -115.94 23.41 12.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.8 mt 43.8 38.96 2.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 91.9 p -109.09 143.09 38.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.643 ' CG ' HD22 ' A' ' 53' ' ' LEU . 54.5 m-85 -94.09 126.28 39.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.8 p -110.14 124.47 51.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.131 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.669 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -54.99 129.53 38.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.416 ' HE3' ' C ' ' A' ' 55' ' ' GLN . 25.9 mttm -51.48 -175.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.448 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 5.0 t70 -97.66 -40.63 8.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.861 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.573 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.8 p90 -68.9 -46.58 67.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.573 HG23 ' CE1' ' A' ' 71' ' ' TYR . 60.8 t -46.78 -32.55 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.177 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.448 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 12.4 m-85 -47.77 -33.96 7.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -73.85 -30.61 62.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -69.04 -22.97 64.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.418 ' CD2' HG13 ' A' ' 19' ' ' ILE . 47.0 mt -58.22 158.0 7.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -117.1 116.61 27.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.3 mtm-85 -58.36 -14.29 7.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -100.71 19.42 17.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.583 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 73.0 t-105 -61.93 121.27 64.21 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.55 0.691 . . . . 0.0 110.944 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 -2.86 10.87 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.655 2.237 . . . . 0.0 112.323 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.456 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -83.87 -22.58 55.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.926 ' CE2' HD13 ' A' ' 91' ' ' LEU . 21.5 m-85 -89.54 116.13 27.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.836 0.35 . . . . 0.0 110.944 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 86' ' ' ILE . 37.6 m -74.79 173.51 10.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -39.78 -25.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.475 ' N ' ' O ' ' A' ' 84' ' ' SER . 4.8 mp -93.28 -64.14 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 86' ' ' ILE . 2.9 m-20 -33.98 -53.52 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.412 ' N ' ' HB3' ' A' ' 83' ' ' TYR . 67.0 mtp180 -46.36 -53.78 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -70.11 -21.7 63.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 m -83.76 -20.22 33.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.926 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.09 -44.39 8.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.727 ' N ' HD23 ' A' ' 91' ' ' LEU . 15.5 pt-20 -46.02 -24.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.892 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.5 t -74.19 -58.12 3.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 75.7 t -44.87 -50.26 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.094 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.419 ' HB3' HD12 ' A' ' 99' ' ' LEU . 42.6 mt -61.08 -33.36 73.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.4 t -67.46 -35.53 79.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 -81.34 -37.09 28.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -77.65 -69.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.419 HD12 ' HB3' ' A' ' 95' ' ' LEU . 16.5 mt -67.13 101.72 0.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.944 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.2 p . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.842 0.354 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -70.36 -30.03 66.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -71.86 151.09 93.09 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.605 0.717 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' TYR . 53.7 Cg_endo -69.76 134.48 28.09 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.71 2.273 . . . . 0.0 112.344 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.461 ' CE2' ' HG ' ' A' ' 49' ' ' LEU . 3.0 t80 -36.51 -62.6 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 14' ' ' TYR . 18.4 ttm180 -33.48 -72.33 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.478 ' OD1' ' CE1' ' A' ' 20' ' ' HIS . 10.6 t0 -41.1 -54.5 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -52.32 -38.48 58.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.599 HG13 HD11 ' A' ' 32' ' ' LEU . 37.6 t -68.14 -63.06 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.128 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.484 HG13 ' N ' ' A' ' 20' ' ' HIS . 30.5 pt -50.14 -42.57 19.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.137 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.789 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 7.9 m80 -57.63 -24.25 55.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.7 mt -89.86 -42.56 11.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.808 HD11 HD23 ' A' ' 53' ' ' LEU . 65.9 mt -67.0 -34.32 77.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.522 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -45.42 -65.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.0 mt -41.91 -51.1 4.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -161.68 169.02 22.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.559 ' HB2' HG22 ' A' ' 67' ' ' THR . . . -69.33 133.05 47.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.094 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.614 ' HB2' HD23 ' A' ' 22' ' ' LEU . 9.0 m-85 -121.98 155.29 35.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 29' ' ' LYS . 2.4 mptt -97.95 146.33 25.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.926 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.662 ' CE ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -34.63 -54.88 0.94 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.563 0.696 . . . . 0.0 110.848 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.8 Cg_endo -69.72 -50.47 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.718 2.279 . . . . 0.0 112.337 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -54.95 -63.38 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.647 HD12 HD21 ' A' ' 53' ' ' LEU . 1.1 tt -38.75 -43.0 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.537 HD11 ' NZ ' ' A' ' 29' ' ' LYS . 11.9 mt -59.95 -53.66 55.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.22 -22.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 33' ' ' LEU . 16.4 mmt180 -88.29 -33.47 18.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.525 ' C ' HG23 ' A' ' 41' ' ' VAL . 13.2 mt -89.52 -53.75 4.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.627 ' N ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -36.54 -48.75 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.9 ptmt -48.05 -53.43 16.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -67.64 -20.41 65.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.03 94.21 1.46 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.531 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.627 HG23 ' N ' ' A' ' 37' ' ' GLN . 20.0 t -101.09 127.27 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 0.0 111.096 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -72.22 145.73 47.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -62.93 -57.3 11.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -51.8 -22.33 3.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.28 -40.21 12.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.453 ' HG2' ' CG1' ' A' ' 41' ' ' VAL . 32.3 mtmt -38.91 -44.08 1.03 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -76.31 -40.07 52.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.4 m -58.87 -35.5 73.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.662 HD13 ' CE ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -41.49 -59.63 1.54 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -43.79 -41.04 5.59 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.447 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.76 -47.32 66.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.76 0.314 . . . . 0.0 111.101 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.497 ' O ' HG22 ' A' ' 56' ' ' VAL . 57.3 mt -57.93 -46.62 87.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.808 HD23 HD11 ' A' ' 22' ' ' LEU . 20.7 mt -47.31 -35.4 7.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -88.11 -17.91 29.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 52' ' ' ILE . 25.6 mt-30 -88.08 -23.15 23.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 52' ' ' ILE . 30.4 m -124.6 -23.96 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.71 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -124.26 177.23 5.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -129.46 130.04 45.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.63 HD23 ' N ' ' A' ' 60' ' ' ASN . 1.1 tt -78.75 131.59 36.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.63 ' N ' HD23 ' A' ' 59' ' ' LEU . 12.8 t-20 -109.28 106.44 16.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.7 t -49.19 -33.06 11.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.8 tttt -43.87 -68.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -118.31 29.81 7.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.1 mt 38.25 32.82 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.8 p -103.1 139.63 38.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.49 ' CZ ' ' HG ' ' A' ' 59' ' ' LEU . 74.8 m-85 -90.0 127.58 36.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.559 HG22 ' HB2' ' A' ' 26' ' ' ALA . 42.9 p -111.34 125.81 54.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.137 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.522 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.02 130.26 41.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.461 ' HB2' HG23 ' A' ' 72' ' ' VAL . 30.1 mttm -52.09 -175.4 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.534 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 5.2 p-10 -97.47 -43.3 7.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.514 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.8 p90 -66.35 -41.64 89.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.927 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.514 HG23 ' CE1' ' A' ' 71' ' ' TYR . 53.0 t -52.29 -30.69 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.534 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 15.3 m-85 -51.24 -28.83 12.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -78.95 -29.44 44.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -73.47 -24.51 60.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.445 HD12 HD21 ' A' ' 95' ' ' LEU . 68.7 mt -50.27 176.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -132.05 120.53 22.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -65.09 -25.77 67.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -96.19 24.93 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.789 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 73.6 t-105 -62.98 122.32 74.25 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.581 0.705 . . . . 0.0 110.906 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -0.85 7.53 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.699 2.266 . . . . 0.0 112.32 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.431 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -89.77 -9.44 66.23 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.879 ' CE2' HD13 ' A' ' 91' ' ' LEU . 22.4 m-85 -102.74 114.67 29.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 110.91 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 47.2 m -73.96 -176.7 2.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -50.13 -22.74 1.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.654 HD12 ' N ' ' A' ' 86' ' ' ILE . 3.1 mp -96.75 -62.07 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.101 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -36.68 -54.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.419 ' N ' ' HB3' ' A' ' 83' ' ' TYR . 58.7 mtp180 -46.01 -54.47 8.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -69.09 -21.69 64.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.1 m -84.04 -17.6 39.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.879 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.05 -41.15 10.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.653 ' N ' HD23 ' A' ' 91' ' ' LEU . 8.8 pt-20 -49.87 -18.33 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 96' ' ' SER . 23.3 t -77.28 -69.79 0.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.842 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 93' ' ' SER . 50.7 t -35.91 -61.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.114 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.445 HD21 HD12 ' A' ' 76' ' ' LEU . 43.7 mt -47.06 -41.15 16.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 93' ' ' SER . 47.2 t -66.81 -32.71 74.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -81.89 -20.41 38.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.514 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 70.2 mmtt -99.28 -65.69 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 92.2 mt -61.14 96.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.934 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.814 0.34 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -43.44 -39.08 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -68.26 150.92 97.54 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.616 0.722 . . . . 0.0 110.853 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 146.87 61.17 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.671 2.247 . . . . 0.0 112.328 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.454 ' O ' ' C ' ' A' ' 15' ' ' ARG . 6.0 t80 -49.84 -63.56 1.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 14' ' ' TYR . 20.1 ttm180 -33.89 -57.07 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.58 -54.95 18.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.82 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.491 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 44.4 mtp180 -54.42 -31.49 55.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.548 HG13 HD11 ' A' ' 32' ' ' LEU . 87.4 t -71.15 -60.01 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.476 HG13 ' N ' ' A' ' 20' ' ' HIS . 31.1 pt -58.11 -40.86 78.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.62 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 11.5 m80 -57.12 -24.37 53.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.429 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 60.6 mt -90.29 -45.75 8.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.914 HD11 HD23 ' A' ' 53' ' ' LEU . 54.5 mt -62.97 -34.35 77.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.575 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -46.74 -63.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.088 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.412 HD11 ' HB3' ' A' ' 87' ' ' ASP . 33.7 mt -45.02 -49.77 11.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -162.67 172.37 15.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.45 ' HB2' HG22 ' A' ' 67' ' ' THR . . . -70.61 134.0 47.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.566 ' CD2' ' OE2' ' A' ' 31' ' ' GLU . 13.6 m-85 -126.63 140.0 52.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.928 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 29' ' ' LYS . 19.7 mttt -83.92 151.74 24.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.905 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.608 ' CE ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -36.56 -55.52 1.47 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.611 0.719 . . . . 0.0 110.935 179.87 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.4 Cg_endo -69.8 -49.75 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.627 2.218 . . . . 0.0 112.308 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.566 ' OE2' ' CD2' ' A' ' 27' ' ' TYR . 29.0 tt0 -53.4 -63.96 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.98 HD12 HD21 ' A' ' 53' ' ' LEU . 0.9 OUTLIER -37.04 -47.51 0.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.964 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 36' ' ' LEU . 12.0 mt -55.33 -57.91 9.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -33.75 -41.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -68.76 -46.02 69.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 33' ' ' LEU . 9.4 mt -73.91 -58.8 3.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.962 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -39.31 -34.31 0.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -49.57 -50.68 41.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -81.87 -28.79 32.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 137.86 119.17 1.75 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.457 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.4 t -125.57 126.32 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 111.103 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -70.27 152.66 43.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -68.13 -48.09 66.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -59.57 -23.93 63.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.01 -31.41 18.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.821 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.7 mtmt -47.24 -56.72 6.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -68.04 -40.67 82.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.1 m -59.02 -26.61 64.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.608 HD13 ' CE ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -51.03 -58.76 5.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -41.72 -33.88 1.14 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.487 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.45 -49.59 26.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.71 0.29 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.549 ' O ' HG22 ' A' ' 56' ' ' VAL . 84.9 mt -55.58 -43.01 71.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.98 HD21 HD12 ' A' ' 32' ' ' LEU . 13.4 mt -53.37 -37.88 62.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.39 -11.55 54.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.425 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 28.7 mt-30 -94.75 -23.7 17.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 52' ' ' ILE . 22.9 m -123.67 -23.56 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.747 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -124.22 177.0 6.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.088 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -128.01 131.24 49.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.646 HD23 ' N ' ' A' ' 60' ' ' ASN . 1.3 tt -79.31 134.41 36.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.646 ' N ' HD23 ' A' ' 59' ' ' LEU . 12.2 t-20 -109.67 86.35 2.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 60' ' ' ASN . 70.1 m -36.96 -30.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 60' ' ' ASN . 1.2 tppt? -51.16 -59.66 3.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.942 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -115.51 12.19 16.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.2 mt 52.49 25.07 3.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.3 p -101.95 141.04 35.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.517 ' CZ ' ' HG ' ' A' ' 59' ' ' LEU . 76.3 m-85 -91.78 127.28 37.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.45 HG22 ' HB2' ' A' ' 26' ' ' ALA . 42.4 p -110.38 125.03 52.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.169 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.575 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -53.71 129.48 33.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.425 ' HE3' ' C ' ' A' ' 55' ' ' GLN . 26.1 mttm -51.27 -175.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.424 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 2.3 p-10 -97.49 -41.1 8.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.554 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.8 p90 -68.18 -45.63 72.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.554 HG23 ' CE1' ' A' ' 71' ' ' TYR . 59.8 t -47.29 -32.36 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.553 ' CE2' ' HG3' ' A' ' 98' ' ' LYS . 13.6 m-85 -49.7 -33.78 16.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -72.89 -29.34 63.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -74.02 -28.79 61.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.1 mt -46.33 167.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -120.86 115.98 24.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -58.82 -28.85 66.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -95.87 33.46 1.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.62 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 72.2 t-105 -73.14 122.7 88.32 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.581 0.705 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -5.64 16.72 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.258 . . . . 0.0 112.356 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.455 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -82.58 -19.46 63.88 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.458 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.845 ' CE2' HD13 ' A' ' 91' ' ' LEU . 25.1 m-85 -89.3 114.26 25.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.886 0.374 . . . . 0.0 110.925 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.5 m -74.21 179.06 4.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -47.87 -19.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 87' ' ' ASP . 6.2 mm -96.67 -67.01 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 87' ' ' ASP . 1.0 OUTLIER -34.13 -56.24 0.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.847 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -44.13 -54.08 5.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -69.79 -19.81 63.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.6 m -88.54 -19.68 26.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.874 HD23 ' N ' ' A' ' 92' ' ' GLU . 0.1 OUTLIER -92.16 -51.02 5.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.874 ' N ' HD23 ' A' ' 91' ' ' LEU . 0.6 OUTLIER -33.3 -45.14 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 96' ' ' SER . 11.4 t -65.41 -61.82 1.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 93' ' ' SER . 52.9 t -34.3 -60.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 83.6 mt -46.22 -41.59 13.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 93' ' ' SER . 22.0 t -72.66 -49.07 34.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.46 ' CZ ' ' HA ' ' A' ' 97' ' ' ARG . 1.7 mmp_? -54.77 -33.19 60.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.845 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.553 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 61.6 mmtt -87.17 -60.02 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 20.3 mt -63.15 94.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.906 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.1 p . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.808 0.337 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -43.5 -31.55 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.3 mmt-85 -73.0 149.82 89.98 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.576 0.703 . . . . 0.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 149.56 66.86 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.674 2.249 . . . . 0.0 112.307 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.458 ' O ' ' C ' ' A' ' 15' ' ' ARG . 6.1 t80 -52.25 -64.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 14' ' ' TYR . 7.5 ttp180 -33.93 -47.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.44 -58.62 7.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.432 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 22.8 mtp180 -53.1 -29.15 29.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.69 HG13 HD11 ' A' ' 32' ' ' LEU . 70.4 t -76.44 -59.68 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.564 HG22 HG21 ' A' ' 56' ' ' VAL . 26.8 pt -55.98 -41.69 68.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.664 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 21.0 m80 -57.29 -30.87 65.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.5 mt -84.72 -39.93 17.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.884 HD11 HD23 ' A' ' 53' ' ' LEU . 61.5 mt -67.54 -28.29 67.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.944 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.725 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -52.58 -71.64 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 23' ' ' ALA . 95.7 mt -37.6 -44.55 0.7 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.8 pttt -168.14 167.85 12.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.764 ' HB2' HG22 ' A' ' 67' ' ' THR . . . -70.59 137.97 50.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.483 ' HB2' HD23 ' A' ' 22' ' ' LEU . 12.9 m-85 -126.19 152.75 45.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 29' ' ' LYS . 6.7 mptt -92.95 148.53 21.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.595 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -35.99 -54.77 1.38 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.548 0.69 . . . . 0.0 110.867 179.878 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.8 Cg_endo -69.78 -50.25 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.674 2.249 . . . . 0.0 112.347 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 32' ' ' LEU . 31.7 tt0 -55.14 -63.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.022 HD12 HD21 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -37.27 -44.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.59 HD11 ' HZ1' ' A' ' 29' ' ' LYS . 11.8 mt -58.34 -58.41 8.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -35.56 -31.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.072 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 33' ' ' LEU . 23.7 mmt-85 -78.92 -45.48 20.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 33' ' ' LEU . 10.5 mt -75.04 -53.18 9.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.469 ' OE1' ' CE ' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -44.27 -30.95 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.896 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -53.93 -54.8 33.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.18 -24.79 47.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.65 118.37 1.89 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.411 HG23 ' C ' ' A' ' 36' ' ' LEU . 21.7 t -127.7 120.05 53.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.89 0.376 . . . . 0.0 111.136 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -65.95 154.01 40.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -67.9 -46.9 70.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -56.35 -23.02 34.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.63 -35.81 17.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.469 ' CE ' ' OE1' ' A' ' 37' ' ' GLN . 19.8 mttm -48.47 -34.78 11.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -86.47 -37.5 18.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.6 p -73.56 -7.75 53.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.591 HD13 ' CE ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -67.79 -47.62 68.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -57.06 -33.92 65.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.99 -42.25 66.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.769 0.319 . . . . 0.0 111.106 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 55' ' ' GLN . 58.7 mt -64.81 -47.86 86.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.022 HD21 HD12 ' A' ' 32' ' ' LEU . 19.2 mt -46.65 -33.18 4.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -89.35 -19.44 25.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 52' ' ' ILE . 46.7 mm-40 -85.94 -23.86 26.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.564 HG21 HG22 ' A' ' 19' ' ' ILE . 22.8 m -121.47 -25.69 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.751 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -122.76 177.22 5.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -127.49 131.86 50.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.637 HD23 ' N ' ' A' ' 60' ' ' ASN . 2.4 tt -79.47 133.18 36.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.637 ' N ' HD23 ' A' ' 59' ' ' LEU . 12.0 t-20 -109.09 89.81 3.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 60' ' ' ASN . 50.8 m -36.95 -30.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 60' ' ' ASN . 30.1 tptt -46.91 -66.29 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -116.67 18.49 14.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.0 mt 50.33 33.57 7.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 91.6 p -103.48 142.79 33.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.454 ' OH ' HD12 ' A' ' 59' ' ' LEU . 68.8 m-85 -95.18 119.4 33.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.935 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.764 HG22 ' HB2' ' A' ' 26' ' ' ALA . 64.8 p -103.12 124.74 49.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.725 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -54.72 128.89 34.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.486 ' HB2' HG23 ' A' ' 72' ' ' VAL . 30.5 mttm -52.09 -178.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.546 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 1.1 p30 -97.63 -36.94 10.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.501 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.5 p90 -70.44 -40.34 73.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.501 HG23 ' CE1' ' A' ' 71' ' ' TYR . 47.9 t -54.7 -29.95 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.118 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.546 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 13.9 m-85 -50.12 -30.4 11.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.6 ptmm? -74.81 -33.92 62.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -67.12 -37.38 83.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 74.8 mt -40.49 161.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 80' ' ' TRP . 52.4 mt-30 -120.09 104.47 10.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.6 mtm-85 -47.62 -27.24 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -92.25 27.54 2.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.664 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 75.5 t-105 -68.71 111.94 9.8 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.596 0.712 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 1.37 4.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.385 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.445 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -94.33 21.26 43.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.614 ' CE2' HD13 ' A' ' 91' ' ' LEU . 21.6 m-85 -123.21 115.79 22.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.883 0.373 . . . . 0.0 110.909 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.465 ' N ' ' HB2' ' A' ' 87' ' ' ASP . 62.8 m -64.32 168.1 6.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.442 ' HG2' HD13 ' A' ' 86' ' ' ILE . 11.8 tt0 -35.86 -33.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.482 ' O ' ' C ' ' A' ' 87' ' ' ASP . 6.4 mm -90.18 -60.94 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.493 ' HB2' ' CA ' ' A' ' 83' ' ' TYR . 10.8 m-20 -31.03 -47.73 0.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.448 ' N ' ' HB3' ' A' ' 83' ' ' TYR . 41.9 mtp180 -61.83 -68.27 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -55.8 -13.58 1.84 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.41 -21.66 21.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.723 HD23 ' N ' ' A' ' 92' ' ' GLU . 0.1 OUTLIER -92.05 -42.7 9.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.723 ' N ' HD23 ' A' ' 91' ' ' LEU . 14.5 pt-20 -42.59 -27.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.1 t -74.16 -57.32 4.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.1 t -43.0 -60.36 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.434 ' HB3' HD12 ' A' ' 99' ' ' LEU . 48.3 mt -51.81 -38.1 54.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.958 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.6 t -67.97 -34.25 76.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 -75.85 -52.37 10.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -64.78 -65.61 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.434 HD12 ' HB3' ' A' ' 95' ' ' LEU . 13.5 mt -65.53 92.41 0.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.9 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.4 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.848 0.356 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -50.14 -34.34 21.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -71.36 152.26 94.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.611 0.72 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 142.78 49.05 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.715 2.277 . . . . 0.0 112.354 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.597 ' CE2' ' O ' ' A' ' 45' ' ' ASP . 6.5 t80 -47.0 -63.43 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 14' ' ' TYR . 8.2 ttp180 -32.98 -57.93 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.32 -51.46 54.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.413 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 49.0 mtp180 -57.13 -31.94 65.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.617 HG13 HD11 ' A' ' 32' ' ' LEU . 76.1 t -73.4 -59.08 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.473 HG13 ' N ' ' A' ' 20' ' ' HIS . 16.4 pt -57.61 -46.25 86.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.59 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 15.3 m80 -52.79 -23.97 7.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.5 mt -90.35 -49.34 6.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.947 HD11 HD23 ' A' ' 53' ' ' LEU . 67.9 mt -61.38 -28.88 69.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.612 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -51.75 -67.75 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.3 mt -42.34 -46.83 4.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HE2' ' CZ ' ' A' ' 27' ' ' TYR . 39.0 pttt -162.6 166.83 24.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.7 137.19 51.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.058 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.704 ' HB2' HD23 ' A' ' 22' ' ' LEU . 16.1 m-85 -128.25 144.29 51.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 29' ' ' LYS . 22.0 mttt -88.71 150.19 23.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.604 ' CE ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -35.57 -54.51 1.25 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.575 0.702 . . . . 0.0 110.882 179.796 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.5 Cg_endo -69.75 -49.8 0.53 Allowed 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.736 2.291 . . . . 0.0 112.373 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -55.76 -63.58 1.13 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.981 HD12 HD21 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -38.58 -42.17 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.535 HD11 ' NZ ' ' A' ' 29' ' ' LYS . 13.2 mt -61.08 -53.75 53.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.1 -21.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.41 ' N ' ' C ' ' A' ' 33' ' ' LEU . 13.4 mmm180 -89.17 -32.39 17.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 33' ' ' LEU . 17.2 mt -90.7 -53.89 4.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.493 ' N ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -36.47 -46.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -51.02 -54.51 23.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -69.55 -19.49 63.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.13 110.4 1.9 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.493 HG23 ' N ' ' A' ' 37' ' ' GLN . 13.2 t -120.44 114.55 44.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 111.136 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -76.39 133.02 40.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -39.65 -55.45 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.6 ptpt -52.0 -42.33 62.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.597 ' O ' ' CE2' ' A' ' 14' ' ' TYR . 69.6 m-20 -79.67 -16.35 55.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.82 -45.32 24.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -70.58 -38.97 74.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.8 m -68.24 -26.78 65.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.604 HD13 ' CE ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -40.89 -58.06 1.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -48.41 -35.96 16.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.36 -40.74 70.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 111.109 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.444 ' O ' HG22 ' A' ' 56' ' ' VAL . 67.5 mt -66.32 -45.62 89.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.981 HD21 HD12 ' A' ' 32' ' ' LEU . 14.3 mt -48.58 -36.53 15.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -86.06 -18.14 33.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -88.51 -22.97 23.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 52' ' ' ILE . 17.5 m -124.36 -22.54 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.668 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -124.53 177.36 5.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -130.78 129.24 42.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.812 HD12 ' OH ' ' A' ' 66' ' ' TYR . 2.3 tt -78.57 133.55 37.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.576 ' N ' HD23 ' A' ' 59' ' ' LEU . 10.7 t-20 -112.83 92.6 4.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 60' ' ' ASN . 67.0 m -36.83 -32.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 60' ' ' ASN . 23.5 tptt -41.89 -69.75 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -113.54 15.85 18.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.847 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.425 HD23 HD21 ' A' ' 59' ' ' LEU . 10.9 mt 51.19 38.47 21.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.6 p -111.93 137.64 49.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.829 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.812 ' OH ' HD12 ' A' ' 59' ' ' LEU . 52.8 m-85 -87.73 119.9 28.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.0 p -101.93 125.39 48.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.118 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.612 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -56.81 128.54 37.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -51.03 -178.44 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.553 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 5.0 p-10 -97.34 -39.75 9.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.663 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.6 p90 -67.48 -42.21 83.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.663 HG23 ' CE1' ' A' ' 71' ' ' TYR . 69.3 t -51.42 -32.29 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.553 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 17.0 m-85 -49.31 -32.19 10.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.2 pttt -74.19 -28.03 61.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -75.98 -24.91 55.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.558 HD12 HD21 ' A' ' 95' ' ' LEU . 70.5 mt -47.5 172.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' A' ' 80' ' ' TRP . 21.3 mm-40 -123.6 94.8 4.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -42.04 -24.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 77' ' ' GLN . 2.5 m-20 -103.11 35.53 2.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.59 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 72.7 t-105 -69.61 127.45 92.67 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.524 0.678 . . . . 0.0 110.946 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.558 ' HD2' ' CE3' ' A' ' 80' ' ' TRP . 54.5 Cg_endo -69.72 -5.05 15.24 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.692 2.261 . . . . 0.0 112.399 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.44 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -84.78 -16.46 65.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.502 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.899 ' CE2' HD13 ' A' ' 91' ' ' LEU . 17.8 m-85 -95.2 119.91 34.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.93 0.395 . . . . 0.0 110.903 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.1 m -81.4 -178.75 7.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -46.34 -24.74 0.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.453 ' O ' ' C ' ' A' ' 87' ' ' ASP . 5.3 mm -94.72 -65.08 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.152 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 86' ' ' ILE . 2.9 m-20 -34.3 -57.02 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -43.39 -54.84 4.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -69.83 -19.51 63.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.4 m -87.83 -18.12 30.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.899 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -91.89 -40.5 11.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.869 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.646 ' N ' HD23 ' A' ' 91' ' ' LEU . 7.6 pt-20 -44.74 -30.07 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.1 t -65.27 -63.27 1.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.1 t -41.21 -59.42 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.558 HD21 HD12 ' A' ' 76' ' ' LEU . 42.8 mt -54.7 -34.46 62.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.5 t -69.26 -39.2 78.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 -74.36 -40.49 62.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.404 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 21.3 mmtp -73.27 -61.9 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 50.2 mt -72.32 99.98 2.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.931 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.5 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.841 0.353 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -53.58 -22.41 8.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -80.44 151.56 72.09 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.603 0.716 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 141.43 45.22 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.729 2.286 . . . . 0.0 112.322 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 15' ' ' ARG . 4.5 t80 -44.73 -63.61 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 14' ' ' TYR . 15.1 ttm180 -34.01 -60.86 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.24 -52.9 14.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.487 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 34.2 mtp180 -56.71 -30.93 63.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.618 HG13 HD11 ' A' ' 32' ' ' LEU . 88.9 t -76.12 -59.59 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.482 HG13 ' N ' ' A' ' 20' ' ' HIS . 17.1 pt -56.84 -46.12 83.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.127 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.613 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 15.7 m80 -53.56 -26.64 22.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.6 mt -86.69 -46.51 9.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.854 HD11 HD23 ' A' ' 53' ' ' LEU . 60.6 mt -63.24 -31.66 72.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.576 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -48.14 -64.62 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.9 mt -43.46 -50.01 7.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.0 pttt -161.97 171.95 16.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.441 ' HB2' HG22 ' A' ' 67' ' ' THR . . . -69.7 132.34 45.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.716 ' HB2' HD23 ' A' ' 22' ' ' LEU . 15.6 m-85 -126.3 135.86 52.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -80.25 156.18 26.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.616 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 5.0 tptm -41.2 -53.55 6.56 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.566 0.698 . . . . 0.0 110.931 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.616 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.73 -50.74 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.702 2.268 . . . . 0.0 112.363 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -54.31 -63.27 1.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.882 HD12 HD21 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -40.04 -46.59 2.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 36' ' ' LEU . 9.3 mt -53.57 -60.39 3.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -32.62 -48.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.494 ' HA ' ' CE ' ' A' ' 38' ' ' LYS . 8.8 mmt180 -61.34 -44.68 96.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 33' ' ' LEU . 46.7 mt -74.4 -58.01 3.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.449 ' NE2' ' HD3' ' A' ' 46' ' ' LYS . 17.5 mm-40 -41.12 -33.47 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.494 ' CE ' ' HA ' ' A' ' 35' ' ' ARG . 22.2 mtmt -45.52 -55.6 6.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -78.84 -22.88 45.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.32 122.81 2.53 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.5 t -123.28 136.84 58.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 111.111 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -82.68 125.92 31.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.82 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -46.48 -46.4 18.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -57.8 -28.65 64.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.6 -26.5 27.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.449 ' HD3' ' NE2' ' A' ' 37' ' ' GLN . 32.8 mtmt -56.29 -48.9 75.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -65.27 -32.44 74.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 p -75.12 -34.05 61.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.613 HD22 ' CD1' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -41.29 -57.32 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.931 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.85 -36.03 13.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.73 -44.89 65.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.762 0.315 . . . . 0.0 111.093 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' GLN . 47.8 mt -61.97 -47.87 91.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.882 HD21 HD12 ' A' ' 32' ' ' LEU . 14.5 mt -45.82 -34.34 3.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -87.76 -20.72 25.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 52' ' ' ILE . 30.9 mt-30 -84.6 -24.03 29.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.462 ' CG2' HG22 ' A' ' 19' ' ' ILE . 20.9 m -122.75 -23.58 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.641 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -124.9 177.37 6.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.078 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -126.98 130.78 50.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.601 HD23 ' N ' ' A' ' 60' ' ' ASN . 0.7 OUTLIER -78.72 131.53 36.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.601 ' N ' HD23 ' A' ' 59' ' ' LEU . 2.3 t-20 -109.97 95.41 5.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.8 t -43.46 -24.92 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.1 tptt -49.91 -65.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -116.93 13.97 15.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.7 mt 56.48 24.98 9.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.1 p -98.38 143.43 28.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.544 ' CB ' HD22 ' A' ' 53' ' ' LEU . 61.2 m-85 -93.5 126.54 38.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.441 HG22 ' HB2' ' A' ' 26' ' ' ALA . 67.1 p -108.68 124.59 50.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.119 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.576 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.27 129.17 37.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.428 ' HB2' HG23 ' A' ' 72' ' ' VAL . 27.4 mttm -51.86 -174.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.455 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 1.6 m-20 -97.28 -44.8 6.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.54 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.9 p90 -64.73 -46.56 81.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.54 HG23 ' CE1' ' A' ' 71' ' ' TYR . 58.1 t -45.19 -35.02 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.13 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.487 ' CE1' HD13 ' A' ' 68' ' ' LEU . 15.6 m-85 -46.78 -36.69 7.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -69.49 -31.88 70.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -71.6 -23.7 61.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 66.7 mt -51.28 170.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -128.54 115.65 18.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.6 mtm180 -60.38 -20.48 59.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -98.64 22.79 9.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.613 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 68.6 t-105 -62.28 118.88 44.39 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.605 0.717 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 0.96 4.92 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.309 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -90.81 -9.52 64.07 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.507 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.859 ' CE2' HD13 ' A' ' 91' ' ' LEU . 20.8 m-85 -100.68 118.07 36.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 110.936 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 86' ' ' ILE . 61.4 m -75.85 173.3 11.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -39.33 -26.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.469 ' N ' ' O ' ' A' ' 84' ' ' SER . 6.5 mm -93.97 -64.05 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 86' ' ' ILE . 3.4 m-20 -33.91 -51.97 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.435 ' N ' ' HB3' ' A' ' 83' ' ' TYR . 97.5 mtt180 -50.62 -64.06 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.441 ' HB2' ' NH1' ' A' ' 89' ' ' ARG . 0.6 OUTLIER -58.55 -22.73 56.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.892 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -82.52 -20.39 36.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.859 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.08 -46.49 7.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.771 ' N ' HD23 ' A' ' 91' ' ' LEU . 9.2 pt-20 -43.05 -25.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 34.6 t -73.06 -58.83 3.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 88.1 t -44.56 -51.95 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 61.1 mt -60.95 -37.55 82.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.0 t -67.52 -32.7 73.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.9 mtm180 -79.35 -49.9 11.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 47.4 mmtt -66.54 -62.96 1.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 35.2 mt -69.1 99.31 1.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 179.908 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.2 t . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.827 0.346 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -59.85 -30.26 68.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.431 ' HG3' ' CZ3' ' A' ' 80' ' ' TRP . 5.0 mmp_? -70.44 152.65 95.42 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.57 0.7 . . . . 0.0 110.861 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 14' ' ' TYR . 53.5 Cg_endo -69.79 132.77 23.99 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.708 2.272 . . . . 0.0 112.313 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.446 ' C ' ' O ' ' A' ' 13' ' ' PRO . 5.6 t80 -34.98 -64.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 14' ' ' TYR . 16.1 ttp180 -34.23 -58.71 0.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.65 -50.73 23.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -57.18 -38.99 74.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.577 HG13 HD11 ' A' ' 32' ' ' LEU . 72.2 t -68.54 -59.63 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.484 HG13 ' N ' ' A' ' 20' ' ' HIS . 24.4 pt -54.88 -41.19 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.773 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 9.0 m80 -57.76 -35.0 70.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 82.5 mt -81.54 -41.64 21.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.813 HD11 HD23 ' A' ' 53' ' ' LEU . 40.4 mt -65.32 -31.73 73.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.598 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -52.94 -65.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.508 HD11 ' OD2' ' A' ' 87' ' ' ASP . 15.8 mt -38.84 -47.17 1.38 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -167.06 172.97 9.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.04 134.44 47.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.058 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.491 ' HB2' HD23 ' A' ' 22' ' ' LEU . 12.2 m-85 -126.82 153.83 45.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 29' ' ' LYS . 3.8 mptt -96.38 149.34 21.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.609 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.3 tptm -36.9 -54.03 1.82 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.592 0.711 . . . . 0.0 110.903 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.609 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.7 Cg_endo -69.77 -49.78 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -56.07 -63.69 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.663 HD12 HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -38.86 -42.08 0.8 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 36' ' ' LEU . 10.2 mt -60.12 -55.91 28.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -39.82 -25.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.504 ' HA ' ' CE ' ' A' ' 38' ' ' LYS . 57.7 mmt-85 -85.29 -37.26 20.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' A' ' 33' ' ' LEU . 25.6 mt -82.04 -50.56 8.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.515 ' NE2' ' HD3' ' A' ' 46' ' ' LYS . 18.3 mm-40 -51.78 -42.3 62.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.954 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.504 ' CE ' ' HA ' ' A' ' 35' ' ' ARG . 1.3 ptpt -54.04 -38.78 65.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -84.01 -26.65 28.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.91 106.83 1.07 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.513 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.415 HG23 ' C ' ' A' ' 36' ' ' LEU . 19.1 t -120.23 151.13 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 111.138 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' A' ' 45' ' ' ASP . 1.9 t-20 -108.48 125.71 52.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -38.14 -35.39 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -60.5 -44.88 95.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 48' ' ' SER . 5.9 m-20 -69.08 -43.66 74.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.515 ' HD3' ' NE2' ' A' ' 37' ' ' GLN . 4.5 mtmp? -37.96 -40.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -72.61 -43.23 63.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 45' ' ' ASP . 25.3 m -62.76 -40.8 98.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.591 HD22 ' CD1' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -38.63 -68.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.42 -37.69 1.24 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.05 -35.36 49.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.736 0.303 . . . . 0.0 111.086 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.642 ' O ' HG22 ' A' ' 56' ' ' VAL . 84.3 mt -69.12 -41.0 81.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.152 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.813 HD23 HD11 ' A' ' 22' ' ' LEU . 12.5 mt -53.03 -34.13 55.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -90.17 -14.72 32.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.427 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 7.7 mm100 -91.74 -24.5 19.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.642 HG22 ' O ' ' A' ' 52' ' ' ILE . 26.2 m -120.24 -26.42 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.759 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -123.24 177.36 5.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -127.98 129.22 46.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.61 HD23 ' N ' ' A' ' 60' ' ' ASN . 2.1 tt -79.01 133.17 36.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.61 ' N ' HD23 ' A' ' 59' ' ' LEU . 29.1 t30 -111.28 94.71 5.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.6 t -39.14 -27.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 60' ' ' ASN . 6.8 tptp -48.16 -68.05 0.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -115.73 20.22 14.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.8 mt 48.24 26.2 1.02 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 99.7 p -97.42 143.0 28.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.637 ' CG ' HD22 ' A' ' 53' ' ' LEU . 48.5 m-85 -92.61 129.01 38.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 38.2 p -113.55 124.61 52.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.156 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.598 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.17 129.03 36.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.479 ' HB2' HG23 ' A' ' 72' ' ' VAL . 29.3 mttm -51.93 -175.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.541 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 4.9 p-10 -97.58 -43.45 7.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.501 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.7 p90 -65.9 -40.71 91.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.502 HG11 HD21 ' A' ' 68' ' ' LEU . 53.1 t -53.2 -31.92 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.095 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.541 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 15.1 m-85 -49.04 -33.11 10.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -73.49 -31.9 63.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -69.15 -23.21 63.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.0 mt -55.65 164.23 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -126.34 114.04 17.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 -57.21 -14.33 4.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -99.91 18.65 17.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.773 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 73.0 t-105 -64.39 120.28 63.74 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.545 0.688 . . . . 0.0 110.926 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -5.15 15.52 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.31 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.455 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -84.02 -11.8 78.1 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.793 ' CE2' HD13 ' A' ' 91' ' ' LEU . 25.1 m-85 -96.53 114.0 25.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.864 0.364 . . . . 0.0 110.914 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.465 ' N ' ' HB2' ' A' ' 87' ' ' ASP . 31.5 m -67.28 176.77 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -50.72 -22.92 2.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.501 HD12 ' N ' ' A' ' 86' ' ' ILE . 4.5 mp -96.74 -45.77 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.508 ' OD2' HD11 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -50.19 -54.39 21.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 -45.49 -50.13 13.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.406 ' CG ' ' O ' ' A' ' 86' ' ' ILE . 4.5 ptm180 -71.86 -23.8 61.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -80.69 -20.92 41.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.793 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.03 -47.4 7.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.788 ' N ' HD23 ' A' ' 91' ' ' LEU . 8.7 pt-20 -44.41 -24.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.7 t -77.29 -53.22 7.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 74.9 t -47.98 -51.08 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.091 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.5 ' HB3' HD12 ' A' ' 99' ' ' LEU . 32.2 mt -57.13 -34.22 68.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.9 t -68.0 -39.54 83.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -76.19 -38.77 56.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.525 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 37.5 mmtm -78.0 -63.99 1.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.5 HD12 ' HB3' ' A' ' 95' ' ' LEU . 36.1 mt -68.64 97.27 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.966 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.921 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -73.74 169.25 17.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.845 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.7 p -98.61 -56.27 2.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.81 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.03 175.99 44.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.3 p -158.72 171.92 19.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 0.0 110.886 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 t -96.41 97.51 9.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.832 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.56 93.45 1.58 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.469 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.2 p -101.03 153.32 19.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.323 . . . . 0.0 111.137 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.479 ' CD1' ' HG2' ' A' ' 81' ' ' PRO . 49.4 mm -64.19 -43.56 97.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.088 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.2 p -51.25 -43.57 61.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -55.18 -24.38 26.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -80.43 152.26 72.88 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.644 0.735 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 134.84 29.11 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.273 . . . . 0.0 112.389 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.452 ' O ' ' C ' ' A' ' 15' ' ' ARG . 5.6 t80 -41.84 -61.05 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 14' ' ' TYR . 15.1 ttp180 -33.52 -66.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.412 ' HA ' HD11 ' A' ' 19' ' ' ILE . 2.9 m-20 -43.73 -57.52 3.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.419 ' HA ' ' CZ2' ' A' ' 80' ' ' TRP . 64.9 mtp180 -49.52 -37.15 25.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.686 HG13 HD11 ' A' ' 32' ' ' LEU . 83.9 t -70.56 -65.53 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.484 HG13 ' N ' ' A' ' 20' ' ' HIS . 27.4 pt -48.36 -43.93 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.717 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 13.2 m80 -53.2 -27.54 22.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.805 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 58.9 mt -88.42 -47.46 8.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.937 HD11 HD23 ' A' ' 53' ' ' LEU . 46.7 mt -64.17 -22.18 66.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.819 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -54.16 -69.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.1 mt -43.5 -46.36 6.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.426 ' HE2' ' CZ ' ' A' ' 27' ' ' TYR . 31.4 pttt -161.59 169.93 20.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.527 ' HB1' ' O ' ' A' ' 66' ' ' TYR . . . -74.93 143.3 43.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.426 ' CZ ' ' HE2' ' A' ' 25' ' ' LYS . 12.2 m-85 -130.13 154.92 47.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.91 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 29' ' ' LYS . 8.7 mptt -91.76 147.72 22.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.899 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.6 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.2 tptm -35.81 -54.68 1.32 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.608 0.718 . . . . 0.0 110.904 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.6 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.2 Cg_endo -69.73 -50.48 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.651 2.234 . . . . 0.0 112.357 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 32' ' ' LEU . 9.8 tt0 -54.52 -66.96 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.947 HD12 HD21 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -34.11 -44.16 0.17 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 35' ' ' ARG . 12.8 mt -61.24 -55.29 33.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.501 ' O ' ' CG ' ' A' ' 38' ' ' LYS . . . -40.21 -24.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 33' ' ' LEU . 13.9 mmt180 -85.16 -44.49 12.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' GLN . 10.4 mt -78.87 -54.04 6.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.566 ' HA ' HG23 ' A' ' 41' ' ' VAL . 14.1 mm-40 -35.91 -45.64 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -42.44 -58.37 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.79 -24.22 65.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.68 111.81 1.83 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.492 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.566 HG23 ' HA ' ' A' ' 37' ' ' GLN . 18.9 t -114.47 123.64 70.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.83 0.348 . . . . 0.0 111.146 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -64.67 136.19 56.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -57.55 -49.67 75.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -56.53 -24.57 47.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -87.7 -36.33 17.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.853 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.492 ' HD3' HE22 ' A' ' 37' ' ' GLN . 37.9 mtmt -42.65 -34.24 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -82.82 -42.49 17.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 98.4 p -60.59 -35.63 76.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.565 HD22 ' CD1' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -39.79 -57.37 1.57 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.38 -38.18 12.87 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.435 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.82 -41.85 64.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.798 0.332 . . . . 0.0 111.105 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.466 ' O ' HG22 ' A' ' 56' ' ' VAL . 65.0 mt -63.3 -46.95 94.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.947 HD21 HD12 ' A' ' 32' ' ' LEU . 13.9 mt -47.79 -32.44 6.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -89.03 -20.21 24.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -84.86 -24.05 28.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 52' ' ' ILE . 34.8 m -124.94 -21.81 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.172 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.747 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -124.4 177.31 5.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.113 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -134.46 121.7 21.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.785 HD23 ' N ' ' A' ' 60' ' ' ASN . 3.1 tt -78.6 130.31 35.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.785 ' N ' HD23 ' A' ' 59' ' ' LEU . 4.0 t-20 -108.55 104.21 13.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.7 p -43.19 -26.03 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.3 tptt -49.11 -67.62 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -117.21 23.62 11.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.584 ' HA ' HD21 ' A' ' 59' ' ' LEU . 17.2 mt 43.36 33.14 0.57 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.9 p -106.29 135.72 47.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.534 ' CD1' ' HB3' ' A' ' 53' ' ' LEU . 92.1 m-85 -83.95 131.41 34.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.1 p -111.13 124.48 52.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.163 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.819 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -61.41 122.09 14.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.484 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . 40.3 mttt -48.76 178.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.572 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 26.8 t0 -89.9 -61.47 1.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.485 ' CG ' ' N ' ' A' ' 72' ' ' VAL . 2.6 p90 -48.87 -44.3 39.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.595 HG11 HD21 ' A' ' 68' ' ' LEU . 81.6 t -46.93 -36.25 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.15 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.579 ' CD2' ' HG3' ' A' ' 98' ' ' LYS . 26.2 m-85 -47.59 -32.48 5.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -73.21 -29.54 62.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -74.73 -24.07 58.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 73' ' ' PHE . 64.2 mt -54.39 178.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -130.33 114.94 16.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 85.0 mtm-85 -60.97 -17.64 52.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -105.61 31.89 4.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.717 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 73.2 t-105 -71.52 125.49 91.77 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.532 0.682 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.479 ' HG2' ' CD1' ' A' ' 9' ' ' ILE . 53.8 Cg_endo -69.74 -0.26 6.64 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.697 2.265 . . . . 0.0 112.355 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -92.06 -8.08 63.53 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.851 ' CE2' HD13 ' A' ' 91' ' ' LEU . 24.2 m-85 -98.23 114.1 26.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.896 0.379 . . . . 0.0 110.918 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.8 m -71.52 176.73 4.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -47.91 -25.55 1.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.65 HD12 ' N ' ' A' ' 86' ' ' ILE . 3.0 mp -94.32 -56.88 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.198 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -41.76 -55.17 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.462 ' HG3' ' CB ' ' A' ' 83' ' ' TYR . 46.4 mtp180 -44.5 -50.1 9.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.402 ' CG ' ' O ' ' A' ' 86' ' ' ILE . 5.0 ptm180 -74.29 -19.4 60.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 t -85.03 -19.45 31.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.851 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.17 -42.33 9.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.94 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.696 ' N ' HD23 ' A' ' 91' ' ' LEU . 8.1 pt-20 -45.84 -24.34 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.3 t -70.27 -70.39 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 97' ' ' ARG . 61.9 t -37.91 -66.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.431 HD22 ' HB3' ' A' ' 73' ' ' PHE . 14.8 mt -42.01 -39.69 1.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.2 t -71.95 -31.57 66.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 94' ' ' VAL . 8.2 mmt180 -79.92 -28.85 39.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.579 ' HG3' ' CD2' ' A' ' 73' ' ' PHE . 8.5 mmmt -93.16 -58.49 2.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 64.2 mt -68.37 94.45 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.877 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 m -132.23 119.34 20.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.906 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.2 p -80.91 -48.39 12.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.69 144.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -143.11 138.65 30.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.376 . . . . 0.0 110.821 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -151.25 136.22 17.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.36 65.94 0.4 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.482 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.0 p -144.4 171.92 13.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.75 0.31 . . . . 0.0 111.15 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.401 HG22 ' NE ' ' A' ' 17' ' ' ARG . 17.2 mm -80.29 -41.95 21.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.5 t -50.34 -53.76 26.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.836 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -44.56 -27.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -77.12 152.63 82.19 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.625 0.726 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 145.9 58.54 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.701 2.267 . . . . 0.0 112.33 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.481 ' CE2' ' HG ' ' A' ' 49' ' ' LEU . 3.4 t80 -51.98 -64.42 0.82 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.473 ' HG2' ' N ' ' A' ' 16' ' ' ASP . 25.5 ttm180 -33.19 -72.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.473 ' N ' ' HG2' ' A' ' 15' ' ' ARG . 11.3 t0 -40.21 -56.35 1.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.401 ' NE ' HG22 ' A' ' 9' ' ' ILE . 33.0 mtp180 -49.09 -39.5 28.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.707 HG13 HD11 ' A' ' 32' ' ' LEU . 64.7 t -67.05 -64.83 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.156 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.476 HG13 ' N ' ' A' ' 20' ' ' HIS . 26.9 pt -48.53 -43.76 13.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.578 ' NE2' ' CE3' ' A' ' 80' ' ' TRP . 20.7 m-70 -55.13 -26.73 40.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.8 mt -89.35 -47.81 7.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.936 HD11 HD23 ' A' ' 53' ' ' LEU . 51.1 mt -60.26 -28.22 67.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.745 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -53.6 -64.97 0.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.07 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.9 mt -41.41 -45.7 3.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 ptmt -167.74 172.1 9.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.53 134.04 46.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.079 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.497 ' HB2' HD23 ' A' ' 22' ' ' LEU . 12.0 m-85 -124.93 154.3 41.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -95.03 146.23 24.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.587 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.2 tptm -34.88 -55.05 0.98 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.573 0.701 . . . . 0.0 110.901 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.0 Cg_endo -69.71 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.727 2.284 . . . . 0.0 112.375 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -54.48 -63.46 1.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.773 HD12 HD21 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -38.44 -45.01 0.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 36' ' ' LEU . 7.9 mt -57.03 -57.34 13.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -35.81 -36.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -70.82 -46.38 62.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 33' ' ' LEU . 24.4 mt -75.91 -56.99 4.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.52 ' N ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -38.85 -36.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -47.92 -59.12 3.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -76.73 -17.11 59.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.54 125.03 2.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.52 HG23 ' N ' ' A' ' 37' ' ' GLN . 18.6 t -131.73 117.41 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 111.129 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -58.43 152.41 17.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -74.34 -49.46 22.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.5 ptpp? -56.24 -24.1 40.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -88.02 -34.3 18.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -44.2 -49.79 9.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -71.77 -37.23 70.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.5 m -64.9 -29.24 70.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.6 HD22 ' CD1' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -47.29 -54.96 9.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.49 -33.08 8.11 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.42 -43.93 30.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.737 0.303 . . . . 0.0 111.135 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.559 ' O ' HG22 ' A' ' 56' ' ' VAL . 45.2 mt -61.49 -42.35 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.936 HD23 HD11 ' A' ' 22' ' ' LEU . 13.3 mt -52.91 -34.89 57.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -86.71 -16.65 35.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.406 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 27.8 mt-30 -87.42 -25.05 23.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 52' ' ' ILE . 34.4 m -123.98 -22.21 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.727 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -124.53 177.59 5.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -134.28 127.08 31.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.611 HD23 ' N ' ' A' ' 60' ' ' ASN . 4.7 tt -79.08 127.43 31.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.611 ' N ' HD23 ' A' ' 59' ' ' LEU . 12.5 t-20 -105.19 100.32 9.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 99.5 p -43.05 -24.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 60' ' ' ASN . 6.7 tttp -49.37 -67.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.16 11.54 17.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.0 mt 56.19 28.2 12.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 90.7 p -104.19 139.07 39.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.552 ' CZ ' HD12 ' A' ' 59' ' ' LEU . 43.1 m-85 -83.66 123.52 29.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.8 p -105.67 124.46 49.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.745 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -57.61 129.43 41.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.408 ' HB2' HG23 ' A' ' 72' ' ' VAL . 29.3 mttm -51.71 -177.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.499 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 17.7 p-10 -97.98 -38.52 9.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.786 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.572 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.6 p90 -69.59 -44.81 70.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.572 HG23 ' CE1' ' A' ' 71' ' ' TYR . 49.8 t -49.77 -32.17 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.551 ' CE2' ' HG3' ' A' ' 98' ' ' LYS . 11.6 m-85 -47.47 -33.61 6.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -74.73 -31.18 61.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -70.81 -19.15 62.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.96 177.98 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -145.99 125.55 13.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.7 mtt85 -66.68 -17.86 65.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -80.51 -5.32 56.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.578 ' CE3' ' NE2' ' A' ' 20' ' ' HIS . 65.1 t-105 -52.72 130.27 46.51 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.589 0.709 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -26.7 27.17 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.655 2.236 . . . . 0.0 112.343 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.75 -22.92 35.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.843 ' CE2' HD13 ' A' ' 91' ' ' LEU . 17.6 m-85 -95.2 115.83 27.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.855 0.359 . . . . 0.0 110.944 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 73.6 m -74.91 -176.56 2.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -49.98 -23.41 2.0 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.452 ' O ' ' C ' ' A' ' 87' ' ' ASP . 4.5 mp -96.6 -64.37 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 86' ' ' ILE . 1.4 m-20 -34.44 -54.53 0.53 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.814 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 88' ' ' ARG . 14.5 mtp-105 -45.18 -51.98 9.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -72.42 -21.3 61.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 m -85.38 -16.17 40.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.843 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.01 -43.21 9.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.699 ' N ' HD23 ' A' ' 91' ' ' LEU . 19.0 pt-20 -48.99 -19.79 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.4 t -73.01 -61.81 1.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.4 t -46.31 -58.16 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 51.6 mt -50.71 -33.68 23.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.2 t -69.8 -42.06 74.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -69.81 -46.15 66.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.551 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 57.0 mmtt -69.97 -67.94 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 28.8 mt -65.64 93.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.889 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 p -98.43 91.71 5.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 110.885 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.1 m -42.67 151.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.33 -105.49 0.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 m -156.12 171.59 19.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.869 0.366 . . . . 0.0 110.849 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 t -69.88 -51.09 36.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.35 -142.62 11.86 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.455 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.7 p -138.04 173.27 11.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.762 0.315 . . . . 0.0 111.105 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.7 mm -84.62 -44.28 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.8 m -48.56 -50.82 30.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 47.6 mm-40 -51.45 -31.78 24.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 mmt-85 -72.37 151.21 91.94 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.623 0.725 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 150.72 68.57 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.678 2.252 . . . . 0.0 112.369 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.433 ' O ' ' C ' ' A' ' 15' ' ' ARG . 5.3 t80 -53.92 -63.87 1.01 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 14' ' ' TYR . 3.1 ttp-105 -34.19 -52.24 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.17 -55.5 30.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.471 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 44.8 mtp180 -55.35 -28.6 54.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.647 HG13 HD11 ' A' ' 32' ' ' LEU . 42.6 t -77.07 -59.66 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.486 HG13 ' N ' ' A' ' 20' ' ' HIS . 11.8 pt -57.96 -48.64 83.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.69 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 12.4 m80 -49.25 -28.45 4.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.0 mt -84.73 -49.28 8.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.785 HD11 HD23 ' A' ' 53' ' ' LEU . 40.8 mt -59.93 -30.57 69.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.583 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -46.61 -74.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.436 HD22 ' HB3' ' A' ' 90' ' ' SER . 79.7 mt -39.24 -45.93 1.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.414 ' HE2' ' CZ ' ' A' ' 27' ' ' TYR . 36.3 pttt -161.85 161.27 28.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.61 143.09 53.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.639 ' HB2' HD23 ' A' ' 22' ' ' LEU . 11.3 m-85 -129.18 161.58 29.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.953 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -101.84 148.91 24.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.908 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.594 ' CE ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -35.27 -55.28 1.07 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.615 0.722 . . . . 0.0 110.907 179.856 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.584 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.8 -50.66 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.647 2.231 . . . . 0.0 112.368 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 32' ' ' LEU . 9.4 tt0 -55.37 -64.21 0.92 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.909 HD12 HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -37.45 -45.11 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.51 HD11 ' NZ ' ' A' ' 29' ' ' LYS . 11.5 mt -56.62 -60.15 3.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -33.65 -38.7 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.075 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 33' ' ' LEU . 6.1 mmm180 -71.46 -46.94 58.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 33' ' ' LEU . 14.2 mt -72.13 -55.9 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.471 ' NE2' ' HB ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -43.75 -35.72 1.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -48.92 -54.49 15.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.47 -27.25 58.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.72 115.84 1.63 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.46 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.471 ' HB ' ' NE2' ' A' ' 37' ' ' GLN . 22.7 t -122.54 146.12 28.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.83 0.347 . . . . 0.0 111.102 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -89.69 119.22 29.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -45.08 -29.74 0.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -71.66 -40.18 69.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.68 -28.44 61.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -46.72 -49.44 19.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -64.56 -40.75 96.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.6 p -64.81 -32.79 74.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.594 HD13 ' CE ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -43.92 -55.64 4.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -50.03 -35.72 26.25 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.78 -42.0 64.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 55' ' ' GLN . 59.0 mt -64.15 -46.97 92.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.909 HD21 HD12 ' A' ' 32' ' ' LEU . 15.5 mt -46.65 -34.44 5.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -87.0 -21.6 26.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' ILE . 14.8 mm-40 -84.47 -22.68 30.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.48 ' CG2' HG22 ' A' ' 19' ' ' ILE . 18.9 m -124.13 -22.76 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.662 ' HB3' ' O ' ' A' ' 53' ' ' LEU . . . -125.33 177.36 6.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.072 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -133.84 130.2 37.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.819 HD23 ' N ' ' A' ' 60' ' ' ASN . 4.2 tt -79.4 130.37 35.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.819 ' N ' HD23 ' A' ' 59' ' ' LEU . 2.6 t-20 -106.1 98.8 8.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.7 t -39.62 -30.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -46.16 -66.86 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -116.03 15.79 16.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.577 ' HA ' HD21 ' A' ' 59' ' ' LEU . 40.0 mt 51.45 26.72 3.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.1 p -97.34 140.96 31.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.469 ' CB ' HD22 ' A' ' 53' ' ' LEU . 72.3 m-85 -88.62 117.17 27.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.9 p -100.65 125.75 47.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.583 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -57.61 128.21 35.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.401 ' HE3' ' C ' ' A' ' 55' ' ' GLN . 28.9 mttm -49.57 -179.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.573 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -96.77 -40.69 8.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.689 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.5 p90 -66.6 -42.52 86.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.689 HG23 ' CE1' ' A' ' 71' ' ' TYR . 78.9 t -50.65 -34.61 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.083 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 18.8 m-85 -47.27 -31.4 3.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -73.73 -30.92 63.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -71.39 -31.04 66.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.448 HD12 HD21 ' A' ' 95' ' ' LEU . 77.7 mt -45.24 167.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -122.24 113.59 19.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.421 ' NH2' ' HA ' ' A' ' 92' ' ' GLU . 10.1 mmt180 -54.86 -25.21 27.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -98.16 30.73 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.69 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 73.1 t-105 -67.41 119.06 62.53 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.615 0.721 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -6.53 18.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.462 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -83.47 -15.24 71.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.521 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.865 ' CE2' HD13 ' A' ' 91' ' ' LEU . 23.2 m-85 -93.92 115.39 27.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 0.0 110.946 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.406 ' C ' ' N ' ' A' ' 86' ' ' ILE . 58.5 m -75.74 175.82 8.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -42.85 -24.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 87' ' ' ASP . 7.8 mm -92.64 -62.78 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.104 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.457 ' HB2' ' CA ' ' A' ' 83' ' ' TYR . 3.3 m-20 -36.04 -56.77 0.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -44.5 -60.17 2.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -61.07 -22.16 64.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.436 ' HB3' HD22 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -84.63 -23.05 29.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.773 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.865 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.13 -35.39 13.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.534 ' N ' HD23 ' A' ' 91' ' ' LEU . 13.9 pt-20 -55.64 -18.02 6.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t -88.11 -62.87 1.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.46 ' CG1' ' N ' ' A' ' 95' ' ' LEU . 3.0 p -46.3 -41.88 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.46 ' N ' ' CG1' ' A' ' 94' ' ' VAL . 84.4 mt -70.55 -24.32 62.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -79.79 -42.23 24.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -75.28 -34.95 61.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -73.6 -56.69 4.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.1 mt -77.87 94.27 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.915 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -163.29 145.28 9.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.38 . . . . 0.0 110.826 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 p -84.02 100.18 10.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.17 -99.39 0.12 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.507 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -108.73 121.43 45.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.372 . . . . 0.0 110.858 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.4 t -82.58 135.55 35.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.23 -168.5 18.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.686 HG22 ' H ' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -112.69 177.78 4.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.78 0.324 . . . . 0.0 111.168 -179.889 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.686 ' H ' HG22 ' A' ' 8' ' ' THR . 38.3 mm -62.99 -50.22 80.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.0 m -59.75 -36.77 77.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -68.84 -33.71 74.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.9 mmp_? -68.8 155.21 93.71 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.604 0.716 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 149.07 66.5 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.673 2.249 . . . . 0.0 112.336 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.463 ' O ' ' C ' ' A' ' 15' ' ' ARG . 6.3 t80 -48.35 -66.88 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.467 ' O ' HG23 ' A' ' 19' ' ' ILE . 12.6 ttp180 -33.56 -52.52 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.81 -54.2 31.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.488 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 32.6 mtp180 -58.57 -30.69 67.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.539 HG13 HD11 ' A' ' 32' ' ' LEU . 99.2 t -73.27 -49.36 38.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.635 HG22 HG21 ' A' ' 56' ' ' VAL . 17.6 pt -68.66 -33.64 60.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.733 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 9.0 m80 -65.79 -24.87 67.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.1 mt -89.5 -45.54 9.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.813 HD11 HD23 ' A' ' 53' ' ' LEU . 66.8 mt -63.4 -28.94 70.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.619 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -50.67 -68.38 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.4 mt -41.71 -50.82 4.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.9 pttt -157.94 170.14 22.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.567 ' HB2' HG22 ' A' ' 67' ' ' THR . . . -73.48 135.36 44.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.599 ' HB2' HD23 ' A' ' 22' ' ' LEU . 12.4 m-85 -125.85 147.5 49.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 29' ' ' LYS . 18.2 mttt -89.47 147.95 23.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.582 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.2 tptm -34.25 -55.3 0.84 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.504 0.669 . . . . 0.0 110.876 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.2 Cg_endo -69.78 -48.46 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -56.09 -63.57 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.756 HD12 HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -38.53 -43.64 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.93 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 36' ' ' LEU . 8.7 mt -58.03 -59.04 5.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.448 ' O ' ' CD ' ' A' ' 38' ' ' LYS . . . -35.57 -32.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 33' ' ' LEU . 8.1 mmm180 -77.68 -45.34 25.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 33' ' ' LEU . 29.1 mt -74.96 -54.27 7.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.51 ' NE2' ' HD3' ' A' ' 46' ' ' LYS . 14.3 mm-40 -43.71 -38.92 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.448 ' CD ' ' O ' ' A' ' 34' ' ' ALA . 19.1 mtpt -47.1 -59.02 3.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -72.99 -19.26 61.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.93 122.44 2.63 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.447 HG23 ' HA ' ' A' ' 37' ' ' GLN . 18.5 t -125.76 145.8 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.824 0.345 . . . . 0.0 111.113 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 -90.42 126.03 35.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -50.86 -51.96 46.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.32 -20.82 12.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -91.41 -33.91 15.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.51 ' HD3' ' NE2' ' A' ' 37' ' ' GLN . 40.1 mtmt -49.84 -50.41 45.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -58.68 -36.5 74.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.3 m -73.68 -33.42 64.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.468 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -39.37 -55.45 1.74 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -49.08 -37.3 22.89 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.474 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.65 -41.05 63.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.332 . . . . 0.0 111.103 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.494 ' O ' HG22 ' A' ' 56' ' ' VAL . 66.8 mt -62.58 -46.3 96.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.813 HD23 HD11 ' A' ' 22' ' ' LEU . 27.3 mt -48.3 -33.92 9.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -88.84 -17.91 28.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -86.7 -23.47 25.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.635 HG21 HG22 ' A' ' 19' ' ' ILE . 34.4 m -123.57 -24.28 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.642 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -126.62 177.42 6.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -126.09 133.45 51.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.599 HD23 ' N ' ' A' ' 60' ' ' ASN . 2.2 tt -78.85 132.2 36.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.599 ' N ' HD23 ' A' ' 59' ' ' LEU . 27.3 t30 -109.56 91.42 3.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 60' ' ' ASN . 2.0 m -38.51 -33.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -40.97 -68.38 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -116.84 12.68 14.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.9 mt 59.88 26.12 15.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.1 p -97.47 138.21 35.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.819 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.687 ' CE2' HD13 ' A' ' 53' ' ' LEU . 49.3 m-85 -89.56 127.54 35.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.567 HG22 ' HB2' ' A' ' 26' ' ' ALA . 44.2 p -109.22 124.4 50.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.098 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.619 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.03 128.59 34.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.429 ' HB2' HG23 ' A' ' 72' ' ' VAL . 30.9 mttm -51.14 -175.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.491 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 8.8 t70 -97.38 -41.3 8.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.546 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.8 p90 -67.41 -44.13 79.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.546 HG23 ' CE1' ' A' ' 71' ' ' TYR . 59.4 t -49.19 -32.83 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.147 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.491 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 14.6 m-85 -48.42 -32.77 8.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.27 -28.53 61.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -74.99 -23.64 58.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.405 HD12 HD21 ' A' ' 95' ' ' LEU . 61.2 mt -52.96 175.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -134.67 104.92 6.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.8 mtt180 -53.21 -16.43 1.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -98.31 19.52 14.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.733 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 74.6 t-105 -63.97 120.13 61.16 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.546 0.689 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 2.54 3.44 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.445 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -90.44 -10.84 63.25 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.886 ' CE2' HD13 ' A' ' 91' ' ' LEU . 25.0 m-85 -97.55 114.84 26.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.924 0.392 . . . . 0.0 110.886 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.5 m -67.74 179.09 1.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.855 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -49.48 -22.81 1.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.2 mp -95.64 -56.83 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.134 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.434 ' HB2' ' CA ' ' A' ' 83' ' ' TYR . 42.6 m-20 -41.76 -51.28 4.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.7 mtp-105 -48.0 -51.3 24.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -71.57 -20.64 61.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 m -84.45 -20.7 31.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.886 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.1 -37.46 12.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.576 ' N ' HD23 ' A' ' 91' ' ' LEU . 8.6 pt-20 -54.64 -17.33 3.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 t -84.76 -63.95 1.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.523 ' CG1' ' N ' ' A' ' 95' ' ' LEU . 1.9 p -45.68 -44.88 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.523 ' N ' ' CG1' ' A' ' 94' ' ' VAL . 66.4 mt -62.36 -27.74 69.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t -80.05 -49.28 12.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -65.01 -35.79 82.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.43 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 53.4 mmtt -73.95 -55.22 6.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.401 HD12 ' O ' ' A' ' 95' ' ' LEU . 8.9 mt -81.27 101.11 9.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.919 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.6 m120 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.916 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -160.69 177.09 10.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.873 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.3 t -81.23 105.02 12.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.801 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.31 -112.82 4.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.458 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m -83.92 170.13 14.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.2 t -135.19 140.6 45.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.75 73.46 0.6 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.529 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.9 p -91.74 170.72 9.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.835 0.35 . . . . 0.0 111.081 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.485 ' CD1' ' HG2' ' A' ' 81' ' ' PRO . 32.1 mm -87.75 -42.16 14.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.08 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.3 p -56.11 -20.06 15.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -82.64 -30.25 29.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -75.93 151.29 84.17 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.643 0.735 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.419 ' HG2' ' CG ' ' A' ' 16' ' ' ASP . 53.7 Cg_endo -69.75 141.98 46.72 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.715 2.276 . . . . 0.0 112.315 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.467 ' O ' ' C ' ' A' ' 15' ' ' ARG . 4.4 t80 -43.83 -66.65 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.467 ' C ' ' O ' ' A' ' 14' ' ' TYR . 18.6 ttp180 -32.89 -54.36 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.419 ' CG ' ' HG2' ' A' ' 13' ' ' PRO . 0.9 OUTLIER -53.73 -52.92 58.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.493 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 63.9 mtp180 -56.51 -30.43 63.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.697 HG13 HD11 ' A' ' 32' ' ' LEU . 70.4 t -76.11 -60.5 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.449 HG13 ' N ' ' A' ' 20' ' ' HIS . 28.3 pt -55.83 -40.39 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.587 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 12.9 m80 -58.86 -27.6 65.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 76.4 mt -89.31 -43.38 10.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.748 HD11 HD23 ' A' ' 53' ' ' LEU . 35.5 mt -64.85 -32.71 74.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.687 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -48.67 -63.94 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.8 mt -42.0 -50.43 4.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 22' ' ' LEU . 32.2 pttt -161.56 169.85 20.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.476 ' HB2' HG22 ' A' ' 67' ' ' THR . . . -70.12 133.83 47.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.55 ' HB2' HD23 ' A' ' 22' ' ' LEU . 11.2 m-85 -124.23 153.31 41.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -95.53 147.25 23.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.59 ' CE ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -34.33 -55.39 0.84 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.547 0.689 . . . . 0.0 110.883 179.886 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.4 Cg_endo -69.7 -50.37 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.688 2.259 . . . . 0.0 112.374 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 32' ' ' LEU . 10.5 tt0 -53.86 -64.66 0.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.705 HD12 HD21 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -36.54 -46.9 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.539 HD11 ' NZ ' ' A' ' 29' ' ' LYS . 14.3 mt -56.14 -57.38 12.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.962 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -34.82 -37.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 33' ' ' LEU . 22.2 mmt-85 -75.66 -44.51 42.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 33' ' ' LEU . 50.4 mt -74.05 -57.81 3.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.494 ' NE2' ' HD3' ' A' ' 46' ' ' LYS . 13.1 mm-40 -38.27 -35.92 0.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -45.73 -57.75 4.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.6 -17.7 57.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.15 132.62 3.67 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.446 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.402 HG23 ' HA ' ' A' ' 37' ' ' GLN . 19.2 t -138.59 118.18 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.8 0.333 . . . . 0.0 111.129 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -59.79 142.03 54.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -63.57 -38.61 91.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -66.96 -25.93 66.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -87.89 -27.07 22.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.494 ' HD3' ' NE2' ' A' ' 37' ' ' GLN . 4.8 mtmp? -50.48 -51.25 48.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -70.88 -38.48 73.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.6 m -63.62 -29.96 71.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.59 HD13 ' CE ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -43.93 -45.11 7.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -56.85 -34.2 64.8 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.52 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.42 -45.14 66.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.75 0.309 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.557 ' O ' HG22 ' A' ' 56' ' ' VAL . 52.2 mt -65.02 -42.49 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.748 HD23 HD11 ' A' ' 22' ' ' LEU . 14.1 mt -50.7 -33.12 21.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -88.98 -20.07 24.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -84.98 -27.52 26.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.557 HG22 ' O ' ' A' ' 52' ' ' ILE . 31.8 m -118.2 -26.15 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.605 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -124.57 177.01 6.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -129.66 133.04 46.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.731 HD23 ' N ' ' A' ' 60' ' ' ASN . 1.4 tt -79.76 134.77 36.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.731 ' N ' HD23 ' A' ' 59' ' ' LEU . 7.0 t-20 -109.91 103.01 11.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.7 t -46.29 -24.09 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -48.35 -69.52 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.87 25.64 7.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.57 ' HA ' HD21 ' A' ' 59' ' ' LEU . 6.6 mp 51.76 34.47 13.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.4 p -99.93 129.68 46.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.477 ' CB ' HD22 ' A' ' 53' ' ' LEU . 82.8 m-85 -87.23 118.48 26.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.95 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.476 HG22 ' HB2' ' A' ' 26' ' ' ALA . 35.8 p -101.37 125.09 47.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.687 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.52 128.62 35.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -51.72 -178.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.573 ' HA ' ' CE2' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -89.3 -68.57 0.77 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.6 ' CG ' ' N ' ' A' ' 72' ' ' VAL . 2.8 p90 -44.69 -51.19 9.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.6 ' N ' ' CG ' ' A' ' 71' ' ' TYR . 59.9 t -39.98 -31.36 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.14 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' A' ' 70' ' ' ASP . 18.2 m-85 -50.92 -43.52 59.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 75' ' ' GLU . 11.4 ptmt -62.4 -27.37 69.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 74' ' ' LYS . 23.0 mt-10 -71.54 -35.22 70.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.529 HD12 HD21 ' A' ' 95' ' ' LEU . 83.2 mt -46.54 169.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -136.54 114.19 11.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -57.29 -23.07 46.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -79.16 -15.84 57.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.587 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 72.2 t-105 -41.22 128.47 2.13 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.593 0.711 . . . . 0.0 110.932 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.485 ' HG2' ' CD1' ' A' ' 9' ' ' ILE . 53.8 Cg_endo -69.78 -36.39 10.83 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -44.83 -24.13 0.69 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.51 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.747 ' CE2' HD13 ' A' ' 91' ' ' LEU . 24.5 m-85 -85.83 120.96 27.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.948 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.5 m -84.43 176.9 8.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -44.08 -24.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 87' ' ' ASP . 7.6 mm -96.56 -61.9 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.101 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 86' ' ' ILE . 16.2 m-20 -34.54 -60.7 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -40.79 -59.15 1.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -64.27 -22.91 67.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 87' ' ' ASP . 1.3 t -83.6 -20.8 33.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.804 HD23 ' N ' ' A' ' 92' ' ' GLU . 0.1 OUTLIER -92.03 -46.32 7.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.804 ' N ' HD23 ' A' ' 91' ' ' LEU . 13.8 pt-20 -43.31 -24.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.3 t -72.64 -60.92 2.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 71.3 t -43.49 -63.75 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.529 HD21 HD12 ' A' ' 76' ' ' LEU . 23.9 mt -47.58 -27.07 1.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.3 t -80.02 -40.05 28.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -70.88 -48.22 54.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -65.9 -69.67 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.1 mt -58.69 96.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.913 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t -96.32 56.48 1.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.852 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.3 p -122.91 171.97 8.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.81 81.97 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.509 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.1 t 51.37 32.94 9.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.899 0.381 . . . . 0.0 110.856 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -75.8 93.82 3.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.33 175.1 15.6 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.9 p -137.06 157.62 46.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.76 0.314 . . . . 0.0 111.155 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.965 HG23 ' HG2' ' A' ' 17' ' ' ARG . 2.7 mp -51.66 -47.86 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 t -46.66 -32.86 3.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -85.68 -22.36 27.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 9' ' ' ILE . 7.8 mmt180 -78.83 150.07 74.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.611 0.72 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 14' ' ' TYR . 53.9 Cg_endo -69.8 138.41 37.63 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.713 2.275 . . . . 0.0 112.344 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.454 ' O ' ' C ' ' A' ' 15' ' ' ARG . 4.2 t80 -34.54 -63.17 0.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 14' ' ' TYR . 11.2 ttp180 -33.39 -62.65 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -45.99 -52.73 11.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.965 ' HG2' HG23 ' A' ' 9' ' ' ILE . 48.1 mtp180 -59.81 -28.74 67.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.7 t -75.58 -55.3 11.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.583 HG22 HG21 ' A' ' 56' ' ' VAL . 12.1 pt -63.46 -42.46 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.638 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 12.0 m80 -54.31 -29.2 46.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.823 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.459 HD13 HD23 ' A' ' 32' ' ' LEU . 77.5 mt -83.39 -48.37 10.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.862 HD11 HD23 ' A' ' 53' ' ' LEU . 38.7 mt -64.16 -27.51 69.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.718 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -50.85 -66.77 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.4 mt -41.15 -50.8 3.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 pttt -160.9 172.74 16.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.06 134.77 48.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.693 ' HB2' HD23 ' A' ' 22' ' ' LEU . 12.2 m-85 -125.54 154.26 42.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -96.47 148.95 22.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.904 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.601 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.0 tptm -35.95 -54.53 1.39 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 0.0 110.959 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.2 Cg_endo -69.83 -50.57 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.723 2.282 . . . . 0.0 112.282 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 32' ' ' LEU . 8.0 tt0 -55.3 -63.74 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.813 HD12 HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -36.93 -43.9 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.946 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 36' ' ' LEU . 10.0 mt -59.88 -58.0 10.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -34.13 -35.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 33' ' ' LEU . 49.3 mmt-85 -71.45 -47.57 54.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 33' ' ' LEU . 14.6 mt -75.31 -53.93 7.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.434 ' HA ' HG23 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -42.49 -26.66 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -60.43 -55.78 29.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -79.29 -13.87 59.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.837 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.8 130.62 3.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.434 HG23 ' HA ' ' A' ' 37' ' ' GLN . 37.2 t -139.39 115.81 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.795 0.331 . . . . 0.0 111.118 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -61.3 153.78 25.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -74.98 -43.15 55.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -26.66 64.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 48' ' ' SER . 1.2 m-20 -86.68 -38.11 17.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -38.64 -41.0 0.65 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -78.88 -37.14 40.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 45' ' ' ASP . 50.1 m -65.54 -22.85 66.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.805 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.526 HD22 ' CD1' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -54.36 -59.38 4.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.87 -31.77 4.24 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.448 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.81 -43.05 31.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.744 0.307 . . . . 0.0 111.094 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.609 ' O ' HG22 ' A' ' 56' ' ' VAL . 66.0 mt -63.27 -42.32 95.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.862 HD23 HD11 ' A' ' 22' ' ' LEU . 14.7 mt -50.65 -33.29 21.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -88.8 -21.84 23.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -82.65 -24.59 33.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 52' ' ' ILE . 34.8 m -123.39 -25.37 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.66 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -123.12 177.28 5.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -130.92 131.03 44.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.76 HD12 ' OH ' ' A' ' 66' ' ' TYR . 2.4 tt -78.55 129.94 35.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.497 ' O ' ' N ' ' A' ' 62' ' ' LYS . 2.1 t-20 -107.64 86.04 2.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 60' ' ' ASN . 10.9 t -34.7 -32.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 60' ' ' ASN . 1.2 tppp? -43.2 -67.22 0.29 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -116.09 16.81 15.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.485 HD23 HD21 ' A' ' 59' ' ' LEU . 7.2 mt 52.3 32.3 10.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.5 p -105.03 133.04 50.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.76 ' OH ' HD12 ' A' ' 59' ' ' LEU . 48.4 m-85 -84.58 121.97 28.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.933 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.8 p -103.94 124.69 49.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.718 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -59.1 126.93 29.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -50.08 179.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.834 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.569 ' HA ' ' CE2' ' A' ' 73' ' ' PHE . 18.0 t70 -91.27 -60.56 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.687 ' CE1' HG23 ' A' ' 72' ' ' VAL . 2.3 p90 -48.64 -48.6 39.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.706 HG11 HD21 ' A' ' 68' ' ' LEU . 54.5 t -42.77 -37.54 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' A' ' 70' ' ' ASP . 19.3 m-85 -44.91 -39.92 5.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -66.4 -31.05 71.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 72' ' ' VAL . 16.1 mt-10 -72.37 -28.33 62.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.573 HD12 HD21 ' A' ' 95' ' ' LEU . 79.4 mt -42.86 166.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -126.65 101.86 6.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.44 ' NH1' ' HB3' ' A' ' 92' ' ' GLU . 7.0 mmm180 -50.06 -22.27 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -95.34 25.71 4.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.638 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 70.4 t-105 -65.1 119.68 60.78 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 121.575 0.702 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 3.4 2.81 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.315 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.631 ' CA ' HD11 ' A' ' 9' ' ' ILE . . . -98.02 5.65 61.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.465 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.841 ' CE2' HD13 ' A' ' 91' ' ' LEU . 21.5 m-85 -108.58 119.6 39.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.909 0.385 . . . . 0.0 110.939 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.404 ' N ' ' HB2' ' A' ' 87' ' ' ASP . 3.5 m -76.99 -176.33 3.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -51.71 -29.83 19.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.638 HD12 ' N ' ' A' ' 86' ' ' ILE . 3.4 mp -92.24 -56.9 4.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 90' ' ' SER . 19.4 m-20 -36.64 -61.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -39.83 -58.29 1.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -65.76 -21.24 66.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 87' ' ' ASP . 1.2 t -81.66 -20.8 38.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.841 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.14 -45.04 8.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.737 ' N ' HD23 ' A' ' 91' ' ' LEU . 9.2 pt-20 -44.65 -22.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.4 ' N ' ' C ' ' A' ' 91' ' ' LEU . 36.8 t -74.09 -64.71 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.862 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 73.5 t -38.66 -59.15 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.573 HD21 HD12 ' A' ' 76' ' ' LEU . 26.3 mt -50.02 -39.23 40.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 42.5 t -65.65 -35.07 79.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 -75.15 -49.75 18.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.524 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 68.0 mmtt -69.3 -71.9 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.93 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.552 HD12 ' HB3' ' A' ' 95' ' ' LEU . 17.8 mt -56.68 94.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 99' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.0 p -124.67 128.91 49.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 0.0 110.834 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.0 p -174.47 176.58 2.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.91 -166.82 30.36 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.543 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 m 59.17 44.54 15.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.875 0.369 . . . . 0.0 110.852 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.7 m -50.76 108.71 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.4 141.77 7.79 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.2 p -136.59 158.29 44.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.76 0.314 . . . . 0.0 111.157 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.6 mm -71.71 -40.34 69.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.6 m -52.65 -45.84 66.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -55.67 -29.92 60.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -70.63 152.89 95.22 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.598 0.713 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.402 ' HG2' ' CG ' ' A' ' 16' ' ' ASP . 53.5 Cg_endo -69.76 133.99 26.91 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.643 2.229 . . . . 0.0 112.336 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.461 ' O ' ' C ' ' A' ' 15' ' ' ARG . 5.9 t80 -42.17 -63.55 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 14' ' ' TYR . 17.8 ttp180 -33.37 -54.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.402 ' CG ' ' HG2' ' A' ' 13' ' ' PRO . 0.8 OUTLIER -54.95 -57.92 9.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.816 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.472 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 38.3 mtp180 -49.13 -32.02 9.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.529 HG13 HD11 ' A' ' 32' ' ' LEU . 89.4 t -74.38 -65.68 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.466 HG22 ' CG2' ' A' ' 56' ' ' VAL . 21.8 pt -49.96 -42.58 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.652 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 14.5 m80 -54.84 -27.01 39.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.0 mt -89.04 -42.73 11.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.796 HD11 HD23 ' A' ' 53' ' ' LEU . 48.5 mt -64.37 -32.09 73.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.568 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -49.93 -69.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.158 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.3 mt -38.54 -45.01 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.976 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.6 pttt -167.23 166.08 15.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.23 137.15 52.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.091 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.457 ' HB2' HD23 ' A' ' 22' ' ' LEU . 11.7 m-85 -125.57 155.47 40.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -95.31 155.86 16.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.583 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -41.94 -55.59 5.95 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.584 0.707 . . . . 0.0 110.871 179.865 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.77 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.72 2.28 . . . . 0.0 112.343 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 32' ' ' LEU . 20.2 tt0 -53.91 -65.34 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.961 HD12 HD21 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -35.07 -45.81 0.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.558 HD21 HD12 ' A' ' 49' ' ' LEU . 14.6 mt -59.05 -56.57 20.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.415 ' O ' ' CD ' ' A' ' 38' ' ' LYS . . . -37.37 -29.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 33' ' ' LEU . 18.6 mmt180 -79.24 -48.28 14.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 17' ' ' ARG . 15.1 mt -73.37 -54.18 8.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.497 ' HA ' HG23 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -42.9 -34.69 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.415 ' CD ' ' O ' ' A' ' 34' ' ' ALA . 20.0 mtpt -50.28 -58.66 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -75.42 -14.06 60.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.95 131.42 3.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.497 HG23 ' HA ' ' A' ' 37' ' ' GLN . 45.0 t -138.44 119.72 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 0.0 111.122 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -66.38 156.7 33.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -70.74 -45.44 64.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.469 ' CD ' ' H ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -56.09 -29.8 61.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -83.19 -37.21 23.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.411 ' HG3' HG12 ' A' ' 41' ' ' VAL . 30.9 mttt -46.1 -41.98 13.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -73.7 -41.54 62.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.8 m -63.46 -31.48 72.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.574 HD13 ' CE ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -45.33 -66.86 0.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.462 ' N ' ' HZ1' ' A' ' 29' ' ' LYS . . . -43.92 -32.44 2.29 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.42 -38.35 34.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.806 0.336 . . . . 0.0 111.144 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.535 ' O ' HG22 ' A' ' 56' ' ' VAL . 76.1 mt -67.68 -42.55 86.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.961 HD21 HD12 ' A' ' 32' ' ' LEU . 13.6 mt -50.3 -35.92 29.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -87.42 -18.04 30.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.428 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 29.0 mm-40 -87.12 -23.76 24.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 52' ' ' ILE . 23.6 m -122.3 -23.94 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.723 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -125.28 176.71 6.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -127.82 128.34 45.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.686 HD23 ' N ' ' A' ' 60' ' ' ASN . 1.3 tt -78.69 133.83 37.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.686 ' N ' HD23 ' A' ' 59' ' ' LEU . 28.0 t30 -112.22 102.06 10.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.1 t -45.19 -36.14 3.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.4 tptp -41.79 -68.45 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -114.54 21.04 14.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 60' ' ' ASN . 18.4 mt 45.29 31.76 0.88 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.6 p -100.33 146.1 27.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.521 ' CZ ' ' HG ' ' A' ' 59' ' ' LEU . 68.8 m-85 -98.17 119.4 36.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.0 p -102.98 125.3 49.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.163 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.568 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -56.03 129.41 39.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.442 ' HB2' HG23 ' A' ' 72' ' ' VAL . 28.9 mttm -51.29 -176.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.433 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 5.3 p-10 -97.35 -44.71 6.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.521 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.8 p90 -64.89 -42.16 95.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.969 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.536 HG11 HD21 ' A' ' 68' ' ' LEU . 64.6 t -50.13 -34.33 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.463 ' CE1' HD13 ' A' ' 68' ' ' LEU . 16.5 m-85 -48.7 -30.7 5.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.409 ' NZ ' ' HB3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -74.48 -29.09 61.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -72.44 -32.45 66.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.44 HD12 HD21 ' A' ' 95' ' ' LEU . 73.3 mt -44.46 163.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -121.19 104.25 9.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.426 ' NH1' ' HB3' ' A' ' 92' ' ' GLU . 6.9 mmm180 -48.49 -28.77 3.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -90.88 27.54 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.652 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 74.0 t-105 -67.34 121.61 79.47 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.533 0.683 . . . . 0.0 110.939 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -4.56 14.29 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.647 2.231 . . . . 0.0 112.363 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.453 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -86.24 -1.15 86.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.926 ' CE2' HD13 ' A' ' 91' ' ' LEU . 23.2 m-85 -108.25 114.13 27.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.91 0.386 . . . . 0.0 110.927 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.4 m -72.92 177.22 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.897 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -44.99 -23.32 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.715 HD12 ' N ' ' A' ' 86' ' ' ILE . 2.6 mp -94.88 -64.26 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 86' ' ' ILE . 1.4 m-20 -33.9 -55.45 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.8 mtp85 -44.42 -56.07 4.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -67.51 -21.16 65.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 m -84.38 -21.84 30.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.797 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.926 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.06 -37.24 12.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.577 ' N ' HD23 ' A' ' 91' ' ' LEU . 7.1 pt-20 -53.7 -18.35 3.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 96' ' ' SER . 8.9 t -78.48 -68.7 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 98.4 t -36.69 -60.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.129 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.44 HD21 HD12 ' A' ' 76' ' ' LEU . 52.4 mt -51.93 -35.07 44.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 93' ' ' SER . 12.0 t -72.34 -26.59 61.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 97' ' ' ARG . 8.1 mtp-105 -90.98 -21.45 21.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -93.23 -60.94 1.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.21 93.75 0.64 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.5 p30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.951 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 43.52 45.48 5.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.35 . . . . 0.0 110.874 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.4 p -108.2 111.54 23.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.92 -154.3 21.46 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.469 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.6 m -83.94 -74.53 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 0.0 110.832 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.7 p -53.39 117.66 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.63 -73.53 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.503 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.657 HG22 ' H ' ' A' ' 9' ' ' ILE . 1.0 OUTLIER -131.36 176.17 8.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.732 0.301 . . . . 0.0 111.145 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.657 ' H ' HG22 ' A' ' 8' ' ' THR . 34.9 mm -59.34 -55.48 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.5 p -51.67 -32.04 28.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -70.78 -27.05 63.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -73.16 153.61 90.53 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.612 0.72 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 14' ' ' TYR . 53.4 Cg_endo -69.83 128.3 15.76 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.3 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.501 ' CE2' ' HB3' ' A' ' 45' ' ' ASP . 4.1 t80 -34.36 -65.1 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 14' ' ' TYR . 22.0 ttt-85 -33.7 -58.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.445 ' OD1' ' NH1' ' A' ' 15' ' ' ARG . 0.7 OUTLIER -49.14 -54.05 18.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.49 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 44.4 mtp180 -54.91 -32.43 61.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.42 HG13 HD11 ' A' ' 32' ' ' LEU . 94.4 t -72.18 -62.9 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.469 HG13 ' N ' ' A' ' 20' ' ' HIS . 25.7 pt -54.95 -42.1 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.187 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.767 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 9.5 m80 -56.21 -23.31 34.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.3 mt -90.36 -51.97 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.603 HD11 HD23 ' A' ' 53' ' ' LEU . 13.1 mt -59.3 -30.45 68.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.625 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -48.81 -64.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.421 ' HA ' HD23 ' A' ' 24' ' ' LEU . 12.9 mt -45.75 -45.41 14.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.421 ' HE2' ' CZ ' ' A' ' 27' ' ' TYR . 25.1 pttt -164.82 168.44 17.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.48 139.75 51.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.421 ' CZ ' ' HE2' ' A' ' 25' ' ' LYS . 14.7 m-85 -129.83 156.69 43.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -97.46 149.53 22.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.608 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.3 tptm -36.67 -53.99 1.73 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.544 0.688 . . . . 0.0 110.92 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.608 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.2 Cg_endo -69.77 -49.89 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.384 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -56.93 -64.21 0.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.785 HD12 HD21 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -38.89 -43.75 0.98 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.629 HD21 HD12 ' A' ' 49' ' ' LEU . 9.4 mt -55.96 -63.06 1.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -32.15 -52.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.501 ' HA ' ' CE ' ' A' ' 38' ' ' LYS . 12.9 mmt180 -51.5 -46.34 63.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 33' ' ' LEU . 9.5 mt -76.93 -54.32 6.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.43 -26.73 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.501 ' CE ' ' HA ' ' A' ' 35' ' ' ARG . 29.7 mtmt -51.98 -45.91 64.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.01 -27.4 22.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.06 109.49 1.21 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.449 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.4 t -108.42 137.63 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.323 . . . . 0.0 111.137 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -76.4 153.47 35.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -63.79 -51.88 62.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.8 pttt -52.07 -29.52 21.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.501 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 13.1 m-20 -79.45 -35.81 39.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.4 mtpt -57.5 -41.25 80.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -82.97 -29.9 28.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.4 m -89.35 7.8 33.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.629 HD12 HD21 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -74.57 -68.82 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 49' ' ' LEU . . . -35.87 -31.85 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . -72.6 -48.36 40.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 0.0 111.117 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.514 ' O ' HG22 ' A' ' 56' ' ' VAL . 81.9 mt -59.32 -45.14 93.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.785 HD21 HD12 ' A' ' 32' ' ' LEU . 37.3 mt -51.29 -36.9 44.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -86.33 -12.86 48.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.428 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 6.5 mm100 -92.58 -22.72 19.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 52' ' ' ILE . 30.7 m -124.95 -21.82 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 53' ' ' LEU . . . -126.19 177.35 6.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -129.83 128.31 42.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.787 HD23 ' N ' ' A' ' 60' ' ' ASN . 2.1 tt -79.34 139.19 37.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.787 ' N ' HD23 ' A' ' 59' ' ' LEU . 36.2 t30 -118.37 96.57 5.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m -40.47 -36.6 0.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.44 -65.99 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -117.57 23.08 11.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.0 mt 41.76 37.19 0.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.9 p -106.83 141.2 38.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.51 ' OH ' HD12 ' A' ' 59' ' ' LEU . 48.1 m-85 -93.17 122.76 35.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.0 p -105.53 124.76 50.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.125 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.625 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -57.75 127.59 32.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.428 ' HE3' ' C ' ' A' ' 55' ' ' GLN . 31.5 mttm -49.7 -179.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.569 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 14.2 p-10 -97.49 -39.13 9.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.737 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.5 p90 -67.63 -38.47 83.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.737 HG23 ' CE1' ' A' ' 71' ' ' TYR . 70.5 t -56.85 -30.36 32.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.569 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 14.6 m-85 -50.7 -29.21 10.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -77.72 -32.2 52.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -70.87 -29.51 65.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.7 mt -47.17 171.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -138.61 114.25 9.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 85.7 mtm-85 -58.87 -25.99 63.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -76.06 -0.18 20.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.767 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 70.7 t-105 -54.4 121.86 34.54 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.544 0.688 . . . . 0.0 110.913 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.424 ' HG2' ' CD1' ' A' ' 9' ' ' ILE . 53.7 Cg_endo -69.78 -25.01 28.95 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -58.81 -17.99 37.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.445 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.712 ' CE2' HD13 ' A' ' 91' ' ' LEU . 25.4 m-85 -91.14 116.89 29.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.912 0.387 . . . . 0.0 110.881 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.458 ' N ' ' HB2' ' A' ' 87' ' ' ASP . 41.1 m -71.61 -176.14 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -55.46 -24.96 33.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.736 HD12 ' N ' ' A' ' 86' ' ' ILE . 1.9 mp -96.29 -43.25 12.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.458 ' HB2' ' N ' ' A' ' 84' ' ' SER . 4.8 m-20 -51.94 -56.57 13.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -44.04 -49.96 8.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -73.06 -23.18 60.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 t -80.67 -19.0 46.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.844 HD23 ' N ' ' A' ' 92' ' ' GLU . 0.1 OUTLIER -92.07 -49.44 6.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.918 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.844 ' N ' HD23 ' A' ' 91' ' ' LEU . 10.8 pt-20 -41.13 -29.2 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.6 t -65.89 -67.62 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 97' ' ' ARG . 88.6 t -39.17 -64.36 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 57.2 mt -40.53 -40.17 1.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.9 t -68.98 -40.59 78.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 94' ' ' VAL . 9.4 mmm180 -65.58 -35.96 82.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -85.67 -66.32 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.0 mt -65.76 92.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.409 ' C ' ' OD1' ' A' ' 100' ' ' ASN . 30.0 t-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 m -137.11 172.11 13.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 110.849 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 t -92.4 -43.12 9.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.31 117.87 3.58 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.426 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.9 m -79.5 149.05 31.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.89 0.376 . . . . 0.0 110.821 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -108.16 149.37 28.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.46 76.89 0.49 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.8 p -100.62 163.09 12.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.753 0.311 . . . . 0.0 111.128 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.403 HD13 ' HG2' ' A' ' 81' ' ' PRO . 10.7 mm -87.15 -35.74 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 t -55.83 -58.77 6.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -42.13 -35.39 0.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.947 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -69.4 147.34 96.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.59 0.71 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 146.51 60.53 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.249 . . . . 0.0 112.339 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.429 ' O ' ' C ' ' A' ' 15' ' ' ARG . 3.2 t80 -42.75 -64.09 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 14' ' ' TYR . 12.0 ttp180 -35.77 -63.75 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -43.41 -56.5 3.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.45 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 26.3 mtp180 -53.38 -33.56 54.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.701 HG13 HD11 ' A' ' 32' ' ' LEU . 69.7 t -75.0 -63.94 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.502 HG22 HG21 ' A' ' 56' ' ' VAL . 8.7 pt -50.23 -39.38 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.565 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 12.6 m80 -61.86 -24.93 67.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 76.1 mt -89.63 -44.03 10.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.626 HD11 HD23 ' A' ' 53' ' ' LEU . 15.5 mt -65.44 -30.25 71.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.972 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.654 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -49.73 -61.18 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.066 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.591 HD11 ' OD2' ' A' ' 87' ' ' ASP . 15.3 mt -46.61 -47.43 19.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 pttt -163.62 169.88 17.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.1 138.49 49.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.432 ' HB2' HD23 ' A' ' 22' ' ' LEU . 11.8 m-85 -127.9 155.96 43.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.82 149.55 22.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.607 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.2 tptm -37.52 -54.08 2.24 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.557 0.694 . . . . 0.0 110.904 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.607 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.4 Cg_endo -69.78 -51.1 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.656 2.238 . . . . 0.0 112.366 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 32' ' ' LEU . 36.4 tt0 -55.39 -64.13 0.94 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.788 HD12 HD21 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -36.27 -44.18 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.94 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.554 HD21 HD12 ' A' ' 49' ' ' LEU . 16.1 mt -60.45 -56.34 22.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -37.73 -27.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 33' ' ' LEU . 21.8 mmt180 -82.73 -48.61 10.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 38' ' ' LYS . 12.2 mt -73.23 -53.53 10.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.495 ' NE2' ' HD3' ' A' ' 46' ' ' LYS . 13.4 mm-40 -38.57 -27.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 36' ' ' LEU . 18.8 mtpp -65.18 -52.97 51.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -68.96 -16.13 63.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.91 102.13 2.23 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.435 HG23 ' HA ' ' A' ' 37' ' ' GLN . 15.5 t -106.75 149.52 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.36 . . . . 0.0 111.099 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -96.94 130.35 44.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -52.24 -39.24 60.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.8 pttt -64.02 -31.32 72.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -84.01 -33.23 24.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.495 ' HD3' ' NE2' ' A' ' 37' ' ' GLN . 35.8 mtmt -43.63 -40.36 4.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -77.13 -40.25 46.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.1 p -64.85 -28.74 69.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.554 HD12 HD21 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -45.03 -60.67 1.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -43.96 -40.91 5.77 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.505 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.66 -46.16 76.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.767 0.318 . . . . 0.0 111.089 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 55' ' ' GLN . 70.5 mt -60.56 -49.32 84.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.179 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.788 HD21 HD12 ' A' ' 32' ' ' LEU . 33.6 mt -43.73 -33.08 1.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -88.87 -23.69 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 52' ' ' ILE . 23.5 mt-30 -79.69 -23.73 42.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.502 HG21 HG22 ' A' ' 19' ' ' ILE . 36.0 m -124.37 -23.04 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 53' ' ' LEU . . . -125.11 177.38 6.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -129.65 130.06 45.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.693 HD23 ' N ' ' A' ' 60' ' ' ASN . 1.5 tt -78.61 137.45 37.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.693 ' N ' HD23 ' A' ' 59' ' ' LEU . 2.4 t-20 -117.53 95.52 4.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.5 m -39.37 -35.18 0.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -41.06 -68.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -117.33 27.46 9.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 21.9 mt 39.47 40.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 86.8 p -110.21 145.25 37.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.819 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.658 ' CE2' HD13 ' A' ' 53' ' ' LEU . 48.4 m-85 -95.86 122.68 38.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.2 p -104.68 124.65 49.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.654 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -58.07 128.42 37.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.42 ' HE3' ' C ' ' A' ' 55' ' ' GLN . 30.3 mttm -51.07 -178.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.543 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 3.6 t0 -97.25 -39.42 9.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.726 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.5 p90 -67.3 -42.15 84.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.883 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.726 HG23 ' CE1' ' A' ' 71' ' ' TYR . 66.0 t -51.87 -32.98 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.555 ' CE2' ' HG3' ' A' ' 98' ' ' LYS . 15.6 m-85 -48.42 -32.86 8.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -73.88 -30.6 62.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -73.99 -25.16 59.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.435 HD23 HG13 ' A' ' 19' ' ' ILE . 69.8 mt -50.23 178.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -135.99 120.42 18.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.6 mtm180 -63.57 -28.13 69.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -91.15 27.45 1.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.565 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 74.2 t-105 -70.39 120.88 81.31 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.552 0.691 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.403 ' HG2' HD13 ' A' ' 9' ' ' ILE . 54.1 Cg_endo -69.76 -1.35 8.32 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.298 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.46 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -87.93 -8.31 72.85 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.86 ' CE2' HD13 ' A' ' 91' ' ' LEU . 25.0 m-85 -101.61 114.86 29.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.0 110.934 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.5 m -67.58 177.26 2.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -47.8 -28.23 2.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.569 HD12 ' N ' ' A' ' 86' ' ' ILE . 3.8 mp -90.1 -56.78 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.168 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.591 ' OD2' HD11 ' A' ' 24' ' ' LEU . 4.4 m-20 -39.4 -56.67 1.54 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.828 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -43.13 -49.75 6.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -76.49 -17.06 59.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 87' ' ' ASP . 1.8 t -87.99 -18.93 27.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.86 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.01 -32.77 15.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.488 ' N ' HD23 ' A' ' 91' ' ' LEU . 15.7 pt-20 -58.04 -13.26 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.3 t -82.62 -61.74 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 97' ' ' ARG . 69.7 t -43.34 -61.88 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.149 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.401 ' HB3' HD12 ' A' ' 99' ' ' LEU . 36.5 mt -42.8 -44.27 4.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.7 t -65.62 -33.34 75.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 94' ' ' VAL . 11.2 mmm180 -72.83 -37.36 67.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.555 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 51.9 mmtt -86.86 -67.42 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.401 HD12 ' HB3' ' A' ' 95' ' ' LEU . 34.2 mt -61.49 95.38 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.932 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -111.09 166.72 10.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.805 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.9 p -169.5 114.9 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.48 -112.23 2.81 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.511 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t 68.35 46.78 1.03 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.887 0.375 . . . . 0.0 110.878 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.1 m -138.34 142.44 39.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.35 81.2 1.51 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.53 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.594 HG22 ' H ' ' A' ' 9' ' ' ILE . 0.4 OUTLIER -111.74 174.7 5.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.76 0.314 . . . . 0.0 111.144 -179.838 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.594 ' H ' HG22 ' A' ' 8' ' ' THR . 19.0 mm -60.23 -54.94 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.406 ' HA ' ' NH1' ' A' ' 17' ' ' ARG . 87.6 p -51.85 -36.99 50.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -64.02 -33.14 75.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.433 ' HG3' ' CZ3' ' A' ' 80' ' ' TRP . 39.8 mmt180 -67.96 153.19 95.66 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.628 0.727 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 136.34 32.76 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.688 2.259 . . . . 0.0 112.377 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.467 ' CD2' ' HB3' ' A' ' 45' ' ' ASP . 5.6 t80 -40.24 -64.2 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.971 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 14' ' ' TYR . 18.2 ttm180 -33.73 -54.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.76 -54.13 48.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.406 ' NH1' ' HA ' ' A' ' 10' ' ' SER . 55.7 mtp180 -53.44 -28.72 31.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.3 t -77.81 -63.24 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.6 HG22 HG21 ' A' ' 56' ' ' VAL . 9.5 pt -53.88 -45.2 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.564 ' CD2' ' CG ' ' A' ' 80' ' ' TRP . 14.0 m80 -53.6 -29.51 38.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.6 mt -82.72 -49.52 9.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.822 HD11 HD23 ' A' ' 53' ' ' LEU . 46.4 mt -60.42 -28.88 68.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.65 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -50.97 -66.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.3 mt -41.86 -51.49 4.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.6 pttt -159.94 170.15 21.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.89 134.41 48.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.056 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.582 ' HB2' HD23 ' A' ' 22' ' ' LEU . 12.6 m-85 -125.32 153.08 43.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 29' ' ' LYS . 25.0 mttt -96.67 148.59 22.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.59 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.2 tptm -34.73 -54.99 0.95 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.6 0.714 . . . . 0.0 110.876 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.59 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.8 Cg_endo -69.7 -50.76 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.329 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 32' ' ' LEU . 10.5 tt0 -55.22 -63.96 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.784 HD12 HD21 ' A' ' 53' ' ' LEU . 0.9 OUTLIER -37.74 -44.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.928 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 36' ' ' LEU . 13.6 mt -58.8 -57.71 11.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -32.8 -39.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 33' ' ' LEU . 16.3 mmm180 -70.97 -49.15 48.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.522 ' C ' HG23 ' A' ' 41' ' ' VAL . 8.6 mt -67.85 -54.59 17.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.415 ' N ' HG23 ' A' ' 41' ' ' VAL . 17.9 mm-40 -50.04 -38.47 37.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.957 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -49.8 -48.5 50.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -84.6 -19.53 32.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.41 119.21 2.22 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.481 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.522 HG23 ' C ' ' A' ' 36' ' ' LEU . 18.4 t -127.63 132.24 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.338 . . . . 0.0 111.137 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -86.69 131.85 34.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -43.37 -53.33 5.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.6 pttt -46.99 -35.44 6.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.467 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 15.8 m-20 -84.09 -42.3 16.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.824 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -26.56 68.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -80.27 -35.08 36.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 m -93.69 12.27 26.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.459 HD12 HD21 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -66.1 -66.33 0.56 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 49' ' ' LEU . . . -35.95 -35.13 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.486 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.42 -50.77 28.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.751 0.31 . . . . 0.0 111.082 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.506 ' O ' HG22 ' A' ' 56' ' ' VAL . 86.9 mt -55.64 -44.52 77.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.163 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.822 HD23 HD11 ' A' ' 22' ' ' LEU . 15.0 mt -51.69 -37.21 49.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.52 -13.22 49.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -93.48 -22.61 18.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.6 HG21 HG22 ' A' ' 19' ' ' ILE . 19.9 m -122.51 -26.96 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.787 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -124.2 177.34 5.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -128.41 130.97 48.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.806 HD12 ' OH ' ' A' ' 66' ' ' TYR . 2.9 tt -78.7 129.19 34.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 62' ' ' LYS . 3.4 t-20 -106.26 85.6 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 60' ' ' ASN . 35.1 t -34.25 -34.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 60' ' ' ASN . 32.3 tptt -43.27 -64.34 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -116.22 17.33 15.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.812 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.554 HD23 HD21 ' A' ' 59' ' ' LEU . 8.1 mt 48.8 35.0 5.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.8 p -108.47 137.49 46.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.806 ' OH ' HD12 ' A' ' 59' ' ' LEU . 46.7 m-85 -87.96 123.1 32.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.911 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 47.7 p -106.52 124.49 49.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.65 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.65 126.51 25.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.901 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.428 ' HB2' HG23 ' A' ' 72' ' ' VAL . 34.0 mttt -49.82 -179.05 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.497 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 21.6 m-20 -94.88 -42.94 8.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.558 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.7 p90 -64.14 -45.15 89.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.558 HG23 ' CE1' ' A' ' 71' ' ' TYR . 60.0 t -48.27 -38.31 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.497 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 14.5 m-85 -43.58 -37.59 2.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.436 ' NZ ' ' HB2' ' A' ' 71' ' ' TYR . 5.3 ptpp? -69.78 -32.88 71.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 72' ' ' VAL . 30.4 mt-10 -69.35 -30.34 68.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.623 HD12 HD21 ' A' ' 95' ' ' LEU . 93.2 mt -41.31 162.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 80' ' ' TRP . 27.2 mt-30 -119.01 100.26 7.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.933 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.5 mtm-85 -45.82 -22.99 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -96.3 27.22 3.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.568 ' HB3' ' CD2' ' A' ' 83' ' ' TYR . 69.7 t-105 -69.12 115.5 32.51 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.568 0.699 . . . . 0.0 110.91 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -1.24 8.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.732 2.288 . . . . 0.0 112.328 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.462 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -92.72 17.16 58.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.818 ' CE2' HD13 ' A' ' 91' ' ' LEU . 22.0 m-85 -119.91 114.04 21.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.865 0.364 . . . . 0.0 110.939 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 70.0 m -65.75 167.89 8.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -42.88 -25.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 10.5 mm -92.81 -58.18 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -39.85 -54.52 2.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -45.42 -55.09 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -67.94 -21.94 65.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.5 m -82.94 -21.46 34.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.818 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.02 -42.63 9.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.948 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.699 ' N ' HD23 ' A' ' 91' ' ' LEU . 7.1 pt-20 -47.03 -22.76 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 96' ' ' SER . 35.9 t -80.61 -60.15 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.803 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 84.4 t -39.92 -47.44 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.164 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.623 HD21 HD12 ' A' ' 76' ' ' LEU . 30.8 mt -61.11 -35.56 77.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 93' ' ' SER . 12.3 t -71.57 -39.73 70.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.2 mtp85 -68.59 -50.43 51.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -64.01 -67.85 0.4 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.1 mt -60.02 94.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.5 p30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.88 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -86.56 159.94 19.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.369 . . . . 0.0 110.848 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.7 t -159.55 156.99 29.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.48 -142.22 13.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -146.22 128.53 15.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.829 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 m -68.19 140.72 56.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.06 -167.25 41.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.456 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.2 p -132.66 175.4 9.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.787 0.327 . . . . 0.0 111.159 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.3 mm -95.91 -48.88 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.9 t -47.53 -45.55 26.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -54.02 -32.61 54.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 46.1 mmt-85 -71.74 152.09 93.39 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.574 0.702 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.41 ' HG2' ' CG ' ' A' ' 16' ' ' ASP . 53.3 Cg_endo -69.75 142.11 47.11 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.729 2.286 . . . . 0.0 112.327 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.459 ' O ' ' C ' ' A' ' 15' ' ' ARG . 5.9 t80 -47.53 -64.75 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 14' ' ' TYR . 14.0 ttm180 -33.58 -50.01 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.41 ' CG ' ' HG2' ' A' ' 13' ' ' PRO . 59.8 m-20 -58.48 -59.44 5.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -49.59 -28.86 6.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.599 HG13 HD11 ' A' ' 32' ' ' LEU . 48.2 t -76.31 -62.13 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.486 HG13 ' N ' ' A' ' 20' ' ' HIS . 19.9 pt -53.96 -45.67 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.559 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 23.4 m80 -52.88 -28.55 23.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.2 mt -86.05 -42.85 13.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.948 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.797 HD13 ' HB2' ' A' ' 57' ' ' ALA . 62.1 mt -64.87 -32.15 73.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.976 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.53 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -51.35 -69.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.099 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.545 HD11 ' HB3' ' A' ' 87' ' ' ASP . 18.9 mt -37.7 -43.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.8 pttt -170.1 167.71 8.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.459 ' HB2' HG22 ' A' ' 67' ' ' THR . . . -69.34 135.82 50.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.605 ' HB2' HD23 ' A' ' 22' ' ' LEU . 12.4 m-85 -124.81 153.13 42.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 29' ' ' LYS . 1.1 mptt -95.38 150.3 20.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.59 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -36.96 -54.97 1.7 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.625 0.726 . . . . 0.0 110.897 179.892 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.59 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.5 Cg_endo -69.84 -50.57 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.693 2.262 . . . . 0.0 112.326 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 32' ' ' LEU . 19.9 tt0 -53.74 -65.01 0.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.908 HD12 HD21 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -36.9 -47.3 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 36' ' ' LEU . 12.6 mt -55.03 -57.61 11.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -34.58 -39.35 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.081 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -71.23 -44.94 64.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 33' ' ' LEU . 11.2 mt -73.52 -57.31 4.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.438 ' NE2' ' HD3' ' A' ' 46' ' ' LYS . 20.9 mm-40 -43.49 -30.14 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.8 mttt -56.21 -55.31 34.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -75.35 -26.47 58.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.61 119.94 2.09 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.1 t -122.78 139.2 50.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.828 0.347 . . . . 0.0 111.111 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -87.63 125.09 34.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -46.57 -43.22 17.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -61.3 -28.53 69.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -84.09 -30.25 26.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.817 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.438 ' HD3' ' NE2' ' A' ' 37' ' ' GLN . 37.7 mtmt -50.76 -33.23 22.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -76.77 -35.73 57.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 99.2 p -73.05 -31.88 64.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.552 HD13 ' CE ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -44.96 -58.69 2.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.12 -37.89 38.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.47 -41.78 68.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.747 0.308 . . . . 0.0 111.086 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' GLN . 49.5 mt -63.56 -47.55 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.908 HD21 HD12 ' A' ' 32' ' ' LEU . 18.8 mt -45.32 -37.59 4.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -85.81 -19.41 30.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 52' ' ' ILE . 15.2 mm100 -84.91 -24.03 28.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 52' ' ' ILE . 32.5 m -123.36 -23.37 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.13 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.797 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -123.36 177.1 5.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -131.54 127.12 36.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.825 HD23 ' N ' ' A' ' 60' ' ' ASN . 2.6 tt -81.39 132.75 35.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.825 ' N ' HD23 ' A' ' 59' ' ' LEU . 4.8 t-20 -109.3 94.27 4.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 60' ' ' ASN . 58.4 m -35.6 -35.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 60' ' ' ASN . 26.0 tttt -41.67 -68.65 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -111.99 8.4 20.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.68 ' HA ' HD21 ' A' ' 59' ' ' LEU . 26.9 mt 57.44 27.56 14.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 96.6 p -97.45 139.75 32.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.56 ' OH ' HD12 ' A' ' 59' ' ' LEU . 67.7 m-85 -91.78 117.04 29.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.459 HG22 ' HB2' ' A' ' 26' ' ' ALA . 42.2 p -102.73 125.02 49.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.14 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.53 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -54.77 130.53 41.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.43 ' HB2' HG23 ' A' ' 72' ' ' VAL . 28.2 mttm -52.56 -175.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.476 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 63.9 m-20 -97.36 -44.45 6.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.528 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.9 p90 -64.9 -43.4 93.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.528 HG23 ' CE1' ' A' ' 71' ' ' TYR . 58.0 t -49.08 -33.48 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.122 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.517 ' CE1' HD13 ' A' ' 68' ' ' LEU . 16.1 m-85 -49.4 -31.59 9.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -74.9 -28.03 60.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -74.55 -28.58 61.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.449 HD12 HD21 ' A' ' 95' ' ' LEU . 76.2 mt -46.65 173.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.952 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' A' ' 80' ' ' TRP . 49.8 mt-30 -129.9 103.58 6.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -48.04 -25.53 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -91.47 25.63 2.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.559 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 70.5 t-105 -67.77 117.57 49.37 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.54 0.686 . . . . 0.0 110.886 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -11.64 31.24 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.96 -4.42 82.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.516 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.916 ' CE2' HD13 ' A' ' 91' ' ' LEU . 23.9 m-85 -103.09 114.04 28.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 110.97 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.9 m -71.74 -177.09 1.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -50.92 -22.82 2.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.673 HD12 ' N ' ' A' ' 86' ' ' ILE . 2.9 mp -95.23 -64.13 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.545 ' HB3' HD11 ' A' ' 24' ' ' LEU . 9.0 m-20 -34.57 -55.84 0.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.409 ' NH1' ' HB3' ' A' ' 88' ' ' ARG . 9.3 mtp-105 -44.68 -57.16 3.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -65.52 -21.15 66.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 m -83.55 -22.95 32.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.916 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.01 -45.63 8.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.925 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.787 ' N ' HD23 ' A' ' 91' ' ' LEU . 17.8 pt-20 -41.95 -34.75 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.83 -52.66 16.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.8 t -46.07 -57.45 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.093 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.487 ' HB3' HD12 ' A' ' 99' ' ' LEU . 31.4 mt -56.24 -31.34 63.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 44.0 t -72.49 -42.58 64.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -72.76 -28.4 62.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.808 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -85.75 -62.69 1.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.487 HD12 ' HB3' ' A' ' 95' ' ' LEU . 8.6 mt -71.04 96.51 1.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.8 m120 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.893 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 t -58.63 -56.19 25.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 110.791 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 t 50.21 43.6 26.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.2 122.11 0.99 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.521 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -93.98 85.9 4.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.376 . . . . 0.0 110.854 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 m -75.9 121.33 22.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.79 74.32 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.9 p -103.54 167.41 9.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.761 0.315 . . . . 0.0 111.161 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.434 HD13 ' HG2' ' A' ' 81' ' ' PRO . 17.0 mm -79.0 -46.02 23.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.8 t -48.74 -57.1 6.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.916 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -45.67 -36.64 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.8 mmt-85 -68.2 152.34 96.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.716 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.423 ' HG2' ' CG ' ' A' ' 16' ' ' ASP . 54.2 Cg_endo -69.75 149.33 66.83 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.388 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.443 ' O ' ' C ' ' A' ' 15' ' ' ARG . 4.4 t80 -52.47 -64.64 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 14' ' ' TYR . 7.5 ttp180 -33.85 -57.68 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.423 ' CG ' ' HG2' ' A' ' 13' ' ' PRO . 6.4 m-20 -46.33 -63.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 -49.13 -35.29 16.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.484 HG13 HD11 ' A' ' 32' ' ' LEU . 86.0 t -69.86 -63.16 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.523 HG22 ' HB ' ' A' ' 56' ' ' VAL . 50.6 pt -52.69 -37.53 25.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.522 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 15.0 m80 -60.75 -40.92 94.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.7 mt -72.04 -43.9 64.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.728 HD11 HD23 ' A' ' 53' ' ' LEU . 85.9 mt -67.12 -28.66 68.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.768 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -51.07 -70.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.06 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 24' ' ' LEU . 11.8 mt -41.01 -49.91 3.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.417 ' HE2' ' CE1' ' A' ' 27' ' ' TYR . 21.7 pttt -158.77 171.37 20.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.75 138.46 42.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.659 ' HB2' HD23 ' A' ' 22' ' ' LEU . 13.2 m-85 -127.1 151.98 47.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 29' ' ' LYS . 19.0 mttt -93.25 148.75 21.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.598 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 3.3 tptm -35.51 -54.48 1.22 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.539 0.685 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.4 Cg_endo -69.75 -50.93 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.341 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 32' ' ' LEU . 10.8 tp10 -55.14 -63.68 1.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.766 HD12 HD21 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -38.37 -45.16 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.538 HD21 HD12 ' A' ' 49' ' ' LEU . 12.3 mt -57.01 -59.9 4.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -33.02 -42.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 72.7 mmt-85 -66.99 -47.72 70.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 33' ' ' LEU . 70.2 mt -71.89 -56.82 5.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -42.02 -37.82 1.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -48.84 -57.46 6.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.45 -20.77 58.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.1 126.33 2.87 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.456 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.2 t -130.84 126.83 60.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.362 . . . . 0.0 111.106 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' A' ' 43' ' ' GLN . 39.8 t-20 -70.46 146.24 50.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.403 ' N ' ' OD1' ' A' ' 42' ' ' ASN . 19.9 tt0 -62.17 -51.32 68.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.27 -18.32 6.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.868 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.49 -32.99 13.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.4 mttt -48.74 -36.41 16.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -87.46 -37.32 17.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.4 p -69.49 -8.54 47.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.538 HD12 HD21 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -64.64 -61.64 2.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -43.74 -35.41 3.14 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.546 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.15 -52.23 25.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.744 0.306 . . . . 0.0 111.095 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.518 ' O ' HG22 ' A' ' 56' ' ' VAL . 47.4 mt -56.73 -45.7 82.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.766 HD21 HD12 ' A' ' 32' ' ' LEU . 24.1 mt -46.79 -34.62 5.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -88.74 -19.86 25.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.445 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 34.4 mt-30 -84.1 -22.58 31.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.523 ' HB ' HG22 ' A' ' 19' ' ' ILE . 26.8 m -125.99 -22.01 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.081 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.675 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -128.09 176.71 7.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -133.47 129.74 37.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.895 HD12 ' CZ ' ' A' ' 66' ' ' TYR . 4.2 tt -78.55 131.18 36.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.579 ' N ' HD23 ' A' ' 59' ' ' LEU . 9.5 t-20 -105.57 93.34 4.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.2 m -38.77 -27.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 60' ' ' ASN . 7.9 tptm -53.56 -65.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -110.54 18.85 19.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.8 mt 44.93 25.04 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.0 p -102.78 140.66 36.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.895 ' CZ ' HD12 ' A' ' 59' ' ' LEU . 62.3 m-85 -87.46 122.56 31.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 36.3 p -104.43 124.98 50.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.156 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.768 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.17 131.09 44.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.464 ' HD3' ' CE2' ' A' ' 71' ' ' TYR . 30.0 mttm -55.23 -175.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.498 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 7.3 t70 -91.97 -66.72 0.9 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.572 ' CD1' ' N ' ' A' ' 72' ' ' VAL . 43.9 p90 -46.68 -48.68 20.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.572 HG11 HD21 ' A' ' 68' ' ' LEU . 61.5 t -42.21 -27.87 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.171 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.498 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 19.5 m-85 -55.89 -42.87 76.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 71' ' ' TYR . 4.9 ptpt -72.97 -2.46 21.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -99.2 -19.29 17.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.484 HD12 HD21 ' A' ' 95' ' ' LEU . 19.1 mt -61.11 -175.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 80' ' ' TRP . 20.1 mm-40 -137.73 120.64 16.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.36 -37.27 86.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -82.26 17.94 1.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.577 ' CE3' ' HD2' ' A' ' 81' ' ' PRO . 74.0 t-105 -57.77 127.35 78.54 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.586 0.707 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.577 ' HD2' ' CE3' ' A' ' 80' ' ' TRP . 53.7 Cg_endo -69.84 3.57 2.74 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.697 2.265 . . . . 0.0 112.323 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.466 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -98.5 -0.83 57.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.526 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.897 ' CE2' HD13 ' A' ' 91' ' ' LEU . 23.4 m-85 -113.51 118.54 34.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.869 0.366 . . . . 0.0 110.961 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.7 m -72.1 -178.64 2.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.836 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -48.82 -24.6 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.455 ' O ' ' C ' ' A' ' 87' ' ' ASP . 5.4 mp -95.34 -64.49 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 86' ' ' ILE . 83.8 m-20 -33.89 -53.81 0.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.461 ' N ' ' HB3' ' A' ' 83' ' ' TYR . 60.6 mtp180 -45.32 -49.88 12.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -75.92 -19.4 58.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.864 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.7 t -83.53 -23.17 32.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.897 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -88.04 -52.59 5.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.887 ' N ' HD23 ' A' ' 91' ' ' LEU . 7.8 pt-20 -43.11 -23.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 91' ' ' LEU . 22.9 t -68.7 -54.96 13.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 92.0 t -54.25 -53.66 27.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.484 HD21 HD12 ' A' ' 76' ' ' LEU . 30.6 mt -51.93 -34.89 43.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 34.8 t -70.62 -52.19 23.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 -60.35 -53.17 60.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -56.19 -60.47 3.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 46.1 mt -62.21 97.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 15.2 p30 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.947 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.6 p -70.91 -47.73 57.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 0.0 110.891 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.4 p -152.09 127.24 9.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.03 110.18 0.41 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.469 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.7 t -127.2 142.6 51.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.901 0.381 . . . . 0.0 110.834 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m -115.71 94.16 4.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.09 113.21 4.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.463 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.4 p -101.45 169.52 8.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.78 0.324 . . . . 0.0 111.14 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.3 mm -89.84 -36.0 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.9 t -59.31 -57.11 14.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -42.11 -33.81 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -69.12 151.69 97.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.585 0.707 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 139.12 39.41 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.245 . . . . 0.0 112.37 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.452 ' O ' ' C ' ' A' ' 15' ' ' ARG . 3.7 t80 -44.58 -61.33 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.488 ' HA ' HG21 ' A' ' 52' ' ' ILE . 11.5 ttm105 -33.68 -64.52 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -49.4 -53.05 24.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -51.56 -30.9 22.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.416 HG13 HD11 ' A' ' 32' ' ' LEU . 90.1 t -78.61 -65.7 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.524 HG22 HG21 ' A' ' 56' ' ' VAL . 8.2 pt -48.41 -46.46 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.742 ' CD2' ' CG ' ' A' ' 80' ' ' TRP . 12.8 m80 -51.45 -27.17 9.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.83 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.8 mt -87.25 -48.59 7.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.718 HD13 ' HB2' ' A' ' 57' ' ' ALA . 23.5 mt -60.84 -30.68 70.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.7 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -48.94 -64.44 0.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.6 mt -43.31 -52.71 5.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 22' ' ' LEU . 37.3 pttt -157.24 171.72 19.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.54 136.78 47.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.597 ' HB2' HD23 ' A' ' 22' ' ' LEU . 14.6 m-85 -127.79 150.34 49.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -94.18 162.8 13.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.71 ' CE ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -46.72 -54.57 18.6 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.621 0.724 . . . . 0.0 110.903 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.7 Cg_endo -69.76 -50.76 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.653 2.235 . . . . 0.0 112.374 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -55.7 -63.21 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.807 HD12 HD21 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -40.61 -43.55 1.93 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 36' ' ' LEU . 10.0 mt -56.4 -63.16 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -31.87 -52.91 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.498 ' HA ' ' CE ' ' A' ' 38' ' ' LYS . 9.2 mmm180 -52.97 -46.8 68.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 33' ' ' LEU . 24.3 mt -73.69 -55.09 6.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -49.43 -29.15 6.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.498 ' CE ' ' HA ' ' A' ' 35' ' ' ARG . 19.6 mtmt -53.49 -34.77 59.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.39 -6.26 23.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.29 120.77 3.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.487 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.3 t -126.35 120.63 57.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 0.0 111.117 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -69.32 146.88 51.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -60.88 -46.49 90.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -51.4 -44.07 62.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -80.11 -22.57 42.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.9 ttpp -56.92 -52.59 64.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -66.04 -37.41 85.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 60.0 m -64.05 -28.18 69.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.71 HD13 ' CE ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -44.66 -61.42 1.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.05 -33.34 6.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.493 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.8 -41.38 60.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.322 . . . . 0.0 111.073 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.604 ' O ' HG22 ' A' ' 56' ' ' VAL . 84.7 mt -67.48 -41.55 86.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.807 HD21 HD12 ' A' ' 32' ' ' LEU . 12.7 mt -52.0 -35.07 45.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -89.41 -15.37 33.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -90.84 -24.22 20.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 52' ' ' ILE . 21.3 m -119.94 -28.97 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.718 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -122.29 177.17 5.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.099 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -129.16 129.8 45.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.709 HD23 ' N ' ' A' ' 60' ' ' ASN . 1.5 tt -79.05 133.87 36.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.709 ' N ' HD23 ' A' ' 59' ' ' LEU . 3.7 t-20 -113.45 102.22 10.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.0 m -46.04 -29.69 1.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -46.98 -66.6 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -118.37 22.25 12.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.8 mt 45.39 31.44 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.6 p -102.92 136.28 43.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.519 ' CZ ' ' HG ' ' A' ' 59' ' ' LEU . 80.5 m-85 -89.32 120.32 30.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.933 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.3 p -102.29 124.75 48.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.136 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.7 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -54.85 127.86 30.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -51.58 -174.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.54 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 9.5 p-10 -95.87 -60.41 1.65 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.899 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.493 ' CG ' ' N ' ' A' ' 72' ' ' VAL . 1.8 p90 -50.43 -44.29 55.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.581 HG11 HD21 ' A' ' 68' ' ' LEU . 97.1 t -46.31 -37.47 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.54 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 25.8 m-85 -46.88 -33.94 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -70.99 -31.65 68.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -68.92 -36.94 78.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.458 HD12 HD21 ' A' ' 95' ' ' LEU . 81.3 mt -40.99 151.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 80' ' ' TRP . 36.6 mt-30 -111.38 105.53 14.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -45.82 -24.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -94.51 27.26 3.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.742 ' CG ' ' CD2' ' A' ' 20' ' ' HIS . 68.2 t-105 -68.24 113.38 14.87 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.547 0.689 . . . . 0.0 110.953 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 1.88 4.04 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.653 2.236 . . . . 0.0 112.38 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.451 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -96.75 22.13 42.11 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.803 ' CE2' HD13 ' A' ' 91' ' ' LEU . 15.5 m-85 -121.65 120.47 34.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.871 0.367 . . . . 0.0 110.946 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 86' ' ' ILE . 59.3 m -66.04 161.38 21.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -39.92 -29.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.441 HD12 ' N ' ' A' ' 86' ' ' ILE . 4.6 mp -91.88 -52.78 9.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.4 ' HB2' ' N ' ' A' ' 84' ' ' SER . 64.7 m-20 -41.02 -56.75 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -43.71 -57.5 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -65.29 -22.15 66.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 m -83.54 -16.54 45.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.813 HD23 ' N ' ' A' ' 92' ' ' GLU . 0.1 OUTLIER -91.98 -48.17 6.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.813 ' N ' HD23 ' A' ' 91' ' ' LEU . 9.9 pt-20 -43.28 -23.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 91' ' ' LEU . 29.1 t -75.36 -58.61 3.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 70.9 t -44.16 -51.5 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.074 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.521 ' HB3' HD12 ' A' ' 99' ' ' LEU . 21.1 mt -60.21 -29.48 68.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.3 t -73.49 -37.91 65.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 97' ' ' ARG . 5.3 mtp-105 -77.24 -44.25 30.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -70.96 -65.62 0.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.521 HD12 ' HB3' ' A' ' 95' ' ' LEU . 11.3 mt -71.44 93.94 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.905 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 m -41.64 148.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 0.0 110.874 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -51.72 104.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.21 79.39 0.31 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.481 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.7 p -131.61 120.1 22.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.862 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.6 p -53.6 133.2 41.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.34 -156.91 27.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.455 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.9 p -141.23 167.82 21.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.75 0.31 . . . . 0.0 111.148 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.797 HG22 ' HD3' ' A' ' 17' ' ' ARG . 14.6 mm -83.38 -40.92 16.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.2 t -46.18 -43.28 15.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -63.89 -34.11 77.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.6 mmp_? -69.6 153.52 95.62 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.626 0.727 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.402 ' C ' ' HE ' ' A' ' 17' ' ' ARG . 54.1 Cg_endo -69.76 147.91 63.92 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.688 ' N ' HH21 ' A' ' 17' ' ' ARG . 3.2 t80 -52.93 -59.17 4.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 14' ' ' TYR . 12.7 ttp180 -36.74 -64.5 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.01 -54.85 7.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.797 ' HD3' HG22 ' A' ' 9' ' ' ILE . 53.3 mtm180 -47.62 -42.34 23.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.932 HG13 HD11 ' A' ' 32' ' ' LEU . 97.5 t -67.94 -65.68 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.656 HG22 HG21 ' A' ' 56' ' ' VAL . 6.6 pt -50.98 -28.75 6.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.082 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.583 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 7.0 m80 -72.26 -27.15 62.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 45.7 mt -89.53 -41.63 11.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.83 HD11 HD23 ' A' ' 53' ' ' LEU . 75.0 mt -66.1 -29.51 69.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.669 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -52.31 -62.57 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.094 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 86.9 mt -45.36 -51.67 10.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.941 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -158.8 174.74 14.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.44 133.53 42.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.113 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.605 ' HB2' HD23 ' A' ' 22' ' ' LEU . 10.3 m-85 -124.69 143.16 50.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.017 0.437 . . . . 0.0 110.901 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 29' ' ' LYS . 8.7 mptt -86.23 149.09 25.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.609 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.7 tptm -36.25 -54.15 1.55 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.596 0.713 . . . . 0.0 110.866 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.609 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.1 Cg_endo -69.78 -46.98 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.704 2.269 . . . . 0.0 112.33 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -57.28 -63.18 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.932 HD11 HG13 ' A' ' 18' ' ' VAL . 0.6 OUTLIER -39.71 -41.35 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 35' ' ' ARG . 10.0 mt -59.95 -56.17 24.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.464 ' O ' ' CD ' ' A' ' 38' ' ' LYS . . . -35.77 -30.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 33' ' ' LEU . 37.7 mmt-85 -78.56 -47.63 16.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.817 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.548 ' C ' HG23 ' A' ' 41' ' ' VAL . 6.9 mt -72.11 -51.52 21.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.495 ' N ' HG23 ' A' ' 41' ' ' VAL . 15.2 mm-40 -47.43 -32.86 5.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.464 ' CD ' ' O ' ' A' ' 34' ' ' ALA . 21.0 mtpt -57.75 -55.43 35.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.57 -30.77 66.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.42 102.41 0.84 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.548 HG23 ' C ' ' A' ' 36' ' ' LEU . 18.6 t -101.04 126.9 54.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.857 0.361 . . . . 0.0 111.159 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -71.11 126.76 30.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -39.15 -38.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.422 ' CE ' ' O ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -61.33 -55.27 33.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.564 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 4.1 m-20 -56.3 -42.24 77.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.465 ' HG2' ' CG1' ' A' ' 41' ' ' VAL . 54.7 mttt -38.8 -26.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 45' ' ' ASP . 50.5 m-20 -99.26 -38.4 8.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 m -61.67 -38.23 86.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.641 HD22 ' CD1' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -37.32 -67.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -39.88 -33.79 0.46 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.514 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.22 -39.55 32.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.739 0.304 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.62 ' O ' HG22 ' A' ' 56' ' ' VAL . 70.3 mt -66.71 -41.75 88.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.836 HD21 HD12 ' A' ' 32' ' ' LEU . 12.4 mt -53.42 -36.96 62.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -87.49 -11.96 47.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.416 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 18.3 mm-40 -94.8 -21.66 18.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.656 HG21 HG22 ' A' ' 19' ' ' ILE . 23.6 m -125.22 -23.74 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.729 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -125.79 177.37 6.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.067 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -127.8 130.73 49.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.753 HD23 ' N ' ' A' ' 60' ' ' ASN . 2.3 tt -79.96 137.19 36.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.753 ' N ' HD23 ' A' ' 59' ' ' LEU . 12.7 t-20 -115.51 99.44 7.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.8 p -43.83 -32.82 1.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.5 tttt -43.27 -69.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -115.94 23.41 12.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.8 mt 43.8 38.96 2.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 91.9 p -109.09 143.09 38.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.643 ' CG ' HD22 ' A' ' 53' ' ' LEU . 54.5 m-85 -94.09 126.28 39.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.8 p -110.14 124.47 51.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.131 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.669 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -54.99 129.53 38.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.416 ' HE3' ' C ' ' A' ' 55' ' ' GLN . 25.9 mttm -51.48 -175.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.448 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 5.0 t70 -97.66 -40.63 8.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.861 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.573 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.8 p90 -68.9 -46.58 67.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.573 HG23 ' CE1' ' A' ' 71' ' ' TYR . 60.8 t -46.78 -32.55 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.177 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.448 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 12.4 m-85 -47.77 -33.96 7.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -73.85 -30.61 62.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -69.04 -22.97 64.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.418 ' CD2' HG13 ' A' ' 19' ' ' ILE . 47.0 mt -58.22 158.0 7.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -117.1 116.61 27.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.3 mtm-85 -58.36 -14.29 7.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -100.71 19.42 17.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.583 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 73.0 t-105 -61.93 121.27 64.21 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.55 0.691 . . . . 0.0 110.944 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.447 ' HG2' ' CD1' ' A' ' 9' ' ' ILE . 53.1 Cg_endo -69.74 -2.86 10.87 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.655 2.237 . . . . 0.0 112.323 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.456 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -83.87 -22.58 55.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.926 ' CE2' HD13 ' A' ' 91' ' ' LEU . 21.5 m-85 -89.54 116.13 27.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.836 0.35 . . . . 0.0 110.944 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 86' ' ' ILE . 37.6 m -74.79 173.51 10.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -39.78 -25.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.475 ' N ' ' O ' ' A' ' 84' ' ' SER . 4.8 mp -93.28 -64.14 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 86' ' ' ILE . 2.9 m-20 -33.98 -53.52 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.412 ' N ' ' HB3' ' A' ' 83' ' ' TYR . 67.0 mtp180 -46.36 -53.78 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -70.11 -21.7 63.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 m -83.76 -20.22 33.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.926 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.09 -44.39 8.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.727 ' N ' HD23 ' A' ' 91' ' ' LEU . 15.5 pt-20 -46.02 -24.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.892 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.5 t -74.19 -58.12 3.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 75.7 t -44.87 -50.26 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.094 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.419 ' HB3' HD12 ' A' ' 99' ' ' LEU . 42.6 mt -61.08 -33.36 73.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.4 t -67.46 -35.53 79.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 -81.34 -37.09 28.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -77.65 -69.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.419 HD12 ' HB3' ' A' ' 95' ' ' LEU . 16.5 mt -67.13 101.72 0.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.944 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 t -64.53 111.58 2.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 110.904 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.1 m -91.86 87.86 6.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 145.26 83.75 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.475 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 4' ' ' GLY . 17.8 t -34.6 -43.4 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.0 m -56.62 139.98 48.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.808 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.58 164.23 32.0 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.7 p -124.01 -177.63 3.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.785 0.326 . . . . 0.0 111.121 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.526 HD13 ' HG2' ' A' ' 81' ' ' PRO . 23.0 mm -113.14 -46.15 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.2 p -53.17 -28.36 25.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -70.36 -30.03 66.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -71.86 151.09 93.09 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.605 0.717 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' TYR . 53.7 Cg_endo -69.76 134.48 28.09 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.71 2.273 . . . . 0.0 112.344 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.461 ' CE2' ' HG ' ' A' ' 49' ' ' LEU . 3.0 t80 -36.51 -62.6 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 14' ' ' TYR . 18.4 ttm180 -33.48 -72.33 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.478 ' OD1' ' CE1' ' A' ' 20' ' ' HIS . 10.6 t0 -41.1 -54.5 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.413 ' HE ' HG22 ' A' ' 9' ' ' ILE . 45.7 mtp180 -52.32 -38.48 58.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.599 HG13 HD11 ' A' ' 32' ' ' LEU . 37.6 t -68.14 -63.06 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.128 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.484 HG13 ' N ' ' A' ' 20' ' ' HIS . 30.5 pt -50.14 -42.57 19.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.137 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.789 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 7.9 m80 -57.63 -24.25 55.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.7 mt -89.86 -42.56 11.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.808 HD11 HD23 ' A' ' 53' ' ' LEU . 65.9 mt -67.0 -34.32 77.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.522 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -45.42 -65.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.0 mt -41.91 -51.1 4.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -161.68 169.02 22.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.559 ' HB2' HG22 ' A' ' 67' ' ' THR . . . -69.33 133.05 47.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.094 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.614 ' HB2' HD23 ' A' ' 22' ' ' LEU . 9.0 m-85 -121.98 155.29 35.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 29' ' ' LYS . 2.4 mptt -97.95 146.33 25.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.926 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.662 ' CE ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -34.63 -54.88 0.94 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.563 0.696 . . . . 0.0 110.848 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.8 Cg_endo -69.72 -50.47 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.718 2.279 . . . . 0.0 112.337 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -54.95 -63.38 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.647 HD12 HD21 ' A' ' 53' ' ' LEU . 1.1 tt -38.75 -43.0 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.537 HD11 ' NZ ' ' A' ' 29' ' ' LYS . 11.9 mt -59.95 -53.66 55.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.22 -22.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 33' ' ' LEU . 16.4 mmt180 -88.29 -33.47 18.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.525 ' C ' HG23 ' A' ' 41' ' ' VAL . 13.2 mt -89.52 -53.75 4.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.627 ' N ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -36.54 -48.75 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.9 ptmt -48.05 -53.43 16.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -67.64 -20.41 65.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.03 94.21 1.46 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.531 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.627 HG23 ' N ' ' A' ' 37' ' ' GLN . 20.0 t -101.09 127.27 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 0.0 111.096 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -72.22 145.73 47.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -62.93 -57.3 11.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -51.8 -22.33 3.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.28 -40.21 12.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.453 ' HG2' ' CG1' ' A' ' 41' ' ' VAL . 32.3 mtmt -38.91 -44.08 1.03 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -76.31 -40.07 52.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.4 m -58.87 -35.5 73.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.662 HD13 ' CE ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -41.49 -59.63 1.54 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -43.79 -41.04 5.59 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.447 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.76 -47.32 66.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.76 0.314 . . . . 0.0 111.101 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.497 ' O ' HG22 ' A' ' 56' ' ' VAL . 57.3 mt -57.93 -46.62 87.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.808 HD23 HD11 ' A' ' 22' ' ' LEU . 20.7 mt -47.31 -35.4 7.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -88.11 -17.91 29.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 52' ' ' ILE . 25.6 mt-30 -88.08 -23.15 23.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 52' ' ' ILE . 30.4 m -124.6 -23.96 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.71 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -124.26 177.23 5.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -129.46 130.04 45.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.63 HD23 ' N ' ' A' ' 60' ' ' ASN . 1.1 tt -78.75 131.59 36.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.63 ' N ' HD23 ' A' ' 59' ' ' LEU . 12.8 t-20 -109.28 106.44 16.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.7 t -49.19 -33.06 11.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.8 tttt -43.87 -68.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -118.31 29.81 7.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.1 mt 38.25 32.82 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.8 p -103.1 139.63 38.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.49 ' CZ ' ' HG ' ' A' ' 59' ' ' LEU . 74.8 m-85 -90.0 127.58 36.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.559 HG22 ' HB2' ' A' ' 26' ' ' ALA . 42.9 p -111.34 125.81 54.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.137 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.522 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.02 130.26 41.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.461 ' HB2' HG23 ' A' ' 72' ' ' VAL . 30.1 mttm -52.09 -175.4 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.534 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 5.2 p-10 -97.47 -43.3 7.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.514 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.8 p90 -66.35 -41.64 89.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.927 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.514 HG23 ' CE1' ' A' ' 71' ' ' TYR . 53.0 t -52.29 -30.69 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.534 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 15.3 m-85 -51.24 -28.83 12.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -78.95 -29.44 44.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -73.47 -24.51 60.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.445 HD12 HD21 ' A' ' 95' ' ' LEU . 68.7 mt -50.27 176.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -132.05 120.53 22.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -65.09 -25.77 67.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -96.19 24.93 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.789 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 73.6 t-105 -62.98 122.32 74.25 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.581 0.705 . . . . 0.0 110.906 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.526 ' HG2' HD13 ' A' ' 9' ' ' ILE . 53.3 Cg_endo -69.79 -0.85 7.53 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.699 2.266 . . . . 0.0 112.32 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.431 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -89.77 -9.44 66.23 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.879 ' CE2' HD13 ' A' ' 91' ' ' LEU . 22.4 m-85 -102.74 114.67 29.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 110.91 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 47.2 m -73.96 -176.7 2.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -50.13 -22.74 1.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.654 HD12 ' N ' ' A' ' 86' ' ' ILE . 3.1 mp -96.75 -62.07 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.101 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -36.68 -54.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.419 ' N ' ' HB3' ' A' ' 83' ' ' TYR . 58.7 mtp180 -46.01 -54.47 8.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -69.09 -21.69 64.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.1 m -84.04 -17.6 39.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.879 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.05 -41.15 10.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.653 ' N ' HD23 ' A' ' 91' ' ' LEU . 8.8 pt-20 -49.87 -18.33 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 96' ' ' SER . 23.3 t -77.28 -69.79 0.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.842 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 93' ' ' SER . 50.7 t -35.91 -61.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.114 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.445 HD21 HD12 ' A' ' 76' ' ' LEU . 43.7 mt -47.06 -41.15 16.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 93' ' ' SER . 47.2 t -66.81 -32.71 74.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -81.89 -20.41 38.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.514 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 70.2 mmtt -99.28 -65.69 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 92.2 mt -61.14 96.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.934 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 t -122.29 103.03 8.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.916 0.389 . . . . 0.0 110.908 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 t -65.28 82.88 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.49 -128.12 0.49 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.539 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.9 p -65.49 132.6 49.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.374 . . . . 0.0 110.878 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.7 p -125.48 144.67 50.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.58 161.61 31.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.548 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.6 p -154.4 170.27 21.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.794 0.33 . . . . 0.0 111.154 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.449 ' CD1' ' HG2' ' A' ' 81' ' ' PRO . 17.0 mm -85.74 -44.02 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.0 t -47.13 -57.07 5.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -43.44 -39.08 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -68.26 150.92 97.54 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.616 0.722 . . . . 0.0 110.853 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 146.87 61.17 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.671 2.247 . . . . 0.0 112.328 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.454 ' O ' ' C ' ' A' ' 15' ' ' ARG . 6.0 t80 -49.84 -63.56 1.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 14' ' ' TYR . 20.1 ttm180 -33.89 -57.07 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.58 -54.95 18.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.82 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.491 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 44.4 mtp180 -54.42 -31.49 55.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.548 HG13 HD11 ' A' ' 32' ' ' LEU . 87.4 t -71.15 -60.01 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.476 HG13 ' N ' ' A' ' 20' ' ' HIS . 31.1 pt -58.11 -40.86 78.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.62 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 11.5 m80 -57.12 -24.37 53.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.429 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 60.6 mt -90.29 -45.75 8.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.914 HD11 HD23 ' A' ' 53' ' ' LEU . 54.5 mt -62.97 -34.35 77.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.575 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -46.74 -63.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.088 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.412 HD11 ' HB3' ' A' ' 87' ' ' ASP . 33.7 mt -45.02 -49.77 11.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -162.67 172.37 15.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.45 ' HB2' HG22 ' A' ' 67' ' ' THR . . . -70.61 134.0 47.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.566 ' CD2' ' OE2' ' A' ' 31' ' ' GLU . 13.6 m-85 -126.63 140.0 52.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.928 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 29' ' ' LYS . 19.7 mttt -83.92 151.74 24.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.905 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.608 ' CE ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -36.56 -55.52 1.47 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.611 0.719 . . . . 0.0 110.935 179.87 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.4 Cg_endo -69.8 -49.75 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.627 2.218 . . . . 0.0 112.308 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.566 ' OE2' ' CD2' ' A' ' 27' ' ' TYR . 29.0 tt0 -53.4 -63.96 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.98 HD12 HD21 ' A' ' 53' ' ' LEU . 0.9 OUTLIER -37.04 -47.51 0.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.964 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 36' ' ' LEU . 12.0 mt -55.33 -57.91 9.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -33.75 -41.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -68.76 -46.02 69.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 33' ' ' LEU . 9.4 mt -73.91 -58.8 3.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.962 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -39.31 -34.31 0.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -49.57 -50.68 41.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -81.87 -28.79 32.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 137.86 119.17 1.75 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.457 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.4 t -125.57 126.32 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 111.103 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -70.27 152.66 43.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -68.13 -48.09 66.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -59.57 -23.93 63.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.01 -31.41 18.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.821 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.7 mtmt -47.24 -56.72 6.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -68.04 -40.67 82.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.1 m -59.02 -26.61 64.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.608 HD13 ' CE ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -51.03 -58.76 5.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -41.72 -33.88 1.14 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.487 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.45 -49.59 26.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.71 0.29 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.549 ' O ' HG22 ' A' ' 56' ' ' VAL . 84.9 mt -55.58 -43.01 71.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.98 HD21 HD12 ' A' ' 32' ' ' LEU . 13.4 mt -53.37 -37.88 62.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.39 -11.55 54.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.425 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 28.7 mt-30 -94.75 -23.7 17.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 52' ' ' ILE . 22.9 m -123.67 -23.56 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.747 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -124.22 177.0 6.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.088 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -128.01 131.24 49.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.646 HD23 ' N ' ' A' ' 60' ' ' ASN . 1.3 tt -79.31 134.41 36.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.646 ' N ' HD23 ' A' ' 59' ' ' LEU . 12.2 t-20 -109.67 86.35 2.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 60' ' ' ASN . 70.1 m -36.96 -30.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 60' ' ' ASN . 1.2 tppt? -51.16 -59.66 3.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.942 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -115.51 12.19 16.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.2 mt 52.49 25.07 3.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.3 p -101.95 141.04 35.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.517 ' CZ ' ' HG ' ' A' ' 59' ' ' LEU . 76.3 m-85 -91.78 127.28 37.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.45 HG22 ' HB2' ' A' ' 26' ' ' ALA . 42.4 p -110.38 125.03 52.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.169 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.575 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -53.71 129.48 33.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.425 ' HE3' ' C ' ' A' ' 55' ' ' GLN . 26.1 mttm -51.27 -175.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.424 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 2.3 p-10 -97.49 -41.1 8.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.554 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.8 p90 -68.18 -45.63 72.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.554 HG23 ' CE1' ' A' ' 71' ' ' TYR . 59.8 t -47.29 -32.36 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.553 ' CE2' ' HG3' ' A' ' 98' ' ' LYS . 13.6 m-85 -49.7 -33.78 16.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -72.89 -29.34 63.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -74.02 -28.79 61.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.1 mt -46.33 167.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -120.86 115.98 24.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -58.82 -28.85 66.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -95.87 33.46 1.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.62 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 72.2 t-105 -73.14 122.7 88.32 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.581 0.705 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.449 ' HG2' ' CD1' ' A' ' 9' ' ' ILE . 53.9 Cg_endo -69.79 -5.64 16.72 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.258 . . . . 0.0 112.356 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.455 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -82.58 -19.46 63.88 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.458 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.845 ' CE2' HD13 ' A' ' 91' ' ' LEU . 25.1 m-85 -89.3 114.26 25.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.886 0.374 . . . . 0.0 110.925 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.5 m -74.21 179.06 4.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -47.87 -19.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 87' ' ' ASP . 6.2 mm -96.67 -67.01 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 87' ' ' ASP . 1.0 OUTLIER -34.13 -56.24 0.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.847 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -44.13 -54.08 5.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -69.79 -19.81 63.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.6 m -88.54 -19.68 26.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.874 HD23 ' N ' ' A' ' 92' ' ' GLU . 0.1 OUTLIER -92.16 -51.02 5.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.874 ' N ' HD23 ' A' ' 91' ' ' LEU . 0.6 OUTLIER -33.3 -45.14 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 96' ' ' SER . 11.4 t -65.41 -61.82 1.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 93' ' ' SER . 52.9 t -34.3 -60.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 83.6 mt -46.22 -41.59 13.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 93' ' ' SER . 22.0 t -72.66 -49.07 34.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.46 ' CZ ' ' HA ' ' A' ' 97' ' ' ARG . 1.7 mmp_? -54.77 -33.19 60.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.845 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.553 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 61.6 mmtt -87.17 -60.02 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 20.3 mt -63.15 94.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.906 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m 52.25 50.5 18.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 110.884 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 t -88.2 -42.05 12.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.72 78.32 0.13 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.518 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.5 p -87.5 43.22 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.879 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.3 p -154.03 124.46 7.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.24 54.87 0.7 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.507 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.3 p -116.0 166.36 12.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.779 0.323 . . . . 0.0 111.116 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.6 mm -85.64 -43.13 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.1 p -45.43 -58.79 3.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -43.5 -31.55 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.3 mmt-85 -73.0 149.82 89.98 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.576 0.703 . . . . 0.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 149.56 66.86 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.674 2.249 . . . . 0.0 112.307 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.458 ' O ' ' C ' ' A' ' 15' ' ' ARG . 6.1 t80 -52.25 -64.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 14' ' ' TYR . 7.5 ttp180 -33.93 -47.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.44 -58.62 7.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.432 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 22.8 mtp180 -53.1 -29.15 29.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.69 HG13 HD11 ' A' ' 32' ' ' LEU . 70.4 t -76.44 -59.68 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.564 HG22 HG21 ' A' ' 56' ' ' VAL . 26.8 pt -55.98 -41.69 68.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.664 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 21.0 m80 -57.29 -30.87 65.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.5 mt -84.72 -39.93 17.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.884 HD11 HD23 ' A' ' 53' ' ' LEU . 61.5 mt -67.54 -28.29 67.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.944 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.725 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -52.58 -71.64 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 23' ' ' ALA . 95.7 mt -37.6 -44.55 0.7 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.8 pttt -168.14 167.85 12.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.764 ' HB2' HG22 ' A' ' 67' ' ' THR . . . -70.59 137.97 50.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.483 ' HB2' HD23 ' A' ' 22' ' ' LEU . 12.9 m-85 -126.19 152.75 45.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 29' ' ' LYS . 6.7 mptt -92.95 148.53 21.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.595 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -35.99 -54.77 1.38 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.548 0.69 . . . . 0.0 110.867 179.878 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.8 Cg_endo -69.78 -50.25 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.674 2.249 . . . . 0.0 112.347 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 32' ' ' LEU . 31.7 tt0 -55.14 -63.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.022 HD12 HD21 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -37.27 -44.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.59 HD11 ' HZ1' ' A' ' 29' ' ' LYS . 11.8 mt -58.34 -58.41 8.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -35.56 -31.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.072 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 33' ' ' LEU . 23.7 mmt-85 -78.92 -45.48 20.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 33' ' ' LEU . 10.5 mt -75.04 -53.18 9.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.469 ' OE1' ' CE ' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -44.27 -30.95 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.896 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -53.93 -54.8 33.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.18 -24.79 47.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.65 118.37 1.89 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.411 HG23 ' C ' ' A' ' 36' ' ' LEU . 21.7 t -127.7 120.05 53.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.89 0.376 . . . . 0.0 111.136 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -65.95 154.01 40.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -67.9 -46.9 70.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -56.35 -23.02 34.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.63 -35.81 17.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.469 ' CE ' ' OE1' ' A' ' 37' ' ' GLN . 19.8 mttm -48.47 -34.78 11.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -86.47 -37.5 18.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.6 p -73.56 -7.75 53.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.591 HD13 ' CE ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -67.79 -47.62 68.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -57.06 -33.92 65.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.99 -42.25 66.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.769 0.319 . . . . 0.0 111.106 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 55' ' ' GLN . 58.7 mt -64.81 -47.86 86.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.022 HD21 HD12 ' A' ' 32' ' ' LEU . 19.2 mt -46.65 -33.18 4.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -89.35 -19.44 25.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 52' ' ' ILE . 46.7 mm-40 -85.94 -23.86 26.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.564 HG21 HG22 ' A' ' 19' ' ' ILE . 22.8 m -121.47 -25.69 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.751 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -122.76 177.22 5.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -127.49 131.86 50.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.637 HD23 ' N ' ' A' ' 60' ' ' ASN . 2.4 tt -79.47 133.18 36.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.637 ' N ' HD23 ' A' ' 59' ' ' LEU . 12.0 t-20 -109.09 89.81 3.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 60' ' ' ASN . 50.8 m -36.95 -30.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 60' ' ' ASN . 30.1 tptt -46.91 -66.29 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -116.67 18.49 14.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.0 mt 50.33 33.57 7.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 91.6 p -103.48 142.79 33.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.454 ' OH ' HD12 ' A' ' 59' ' ' LEU . 68.8 m-85 -95.18 119.4 33.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.935 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.764 HG22 ' HB2' ' A' ' 26' ' ' ALA . 64.8 p -103.12 124.74 49.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.725 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -54.72 128.89 34.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.486 ' HB2' HG23 ' A' ' 72' ' ' VAL . 30.5 mttm -52.09 -178.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.546 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 1.1 p30 -97.63 -36.94 10.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.501 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.5 p90 -70.44 -40.34 73.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.501 HG23 ' CE1' ' A' ' 71' ' ' TYR . 47.9 t -54.7 -29.95 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.118 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.546 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 13.9 m-85 -50.12 -30.4 11.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.6 ptmm? -74.81 -33.92 62.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -67.12 -37.38 83.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 74.8 mt -40.49 161.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 80' ' ' TRP . 52.4 mt-30 -120.09 104.47 10.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.6 mtm-85 -47.62 -27.24 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -92.25 27.54 2.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.664 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 75.5 t-105 -68.71 111.94 9.8 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.596 0.712 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 1.37 4.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.385 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.445 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -94.33 21.26 43.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.614 ' CE2' HD13 ' A' ' 91' ' ' LEU . 21.6 m-85 -123.21 115.79 22.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.883 0.373 . . . . 0.0 110.909 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.465 ' N ' ' HB2' ' A' ' 87' ' ' ASP . 62.8 m -64.32 168.1 6.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.442 ' HG2' HD13 ' A' ' 86' ' ' ILE . 11.8 tt0 -35.86 -33.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.482 ' O ' ' C ' ' A' ' 87' ' ' ASP . 6.4 mm -90.18 -60.94 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.493 ' HB2' ' CA ' ' A' ' 83' ' ' TYR . 10.8 m-20 -31.03 -47.73 0.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.448 ' N ' ' HB3' ' A' ' 83' ' ' TYR . 41.9 mtp180 -61.83 -68.27 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -55.8 -13.58 1.84 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.41 -21.66 21.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.723 HD23 ' N ' ' A' ' 92' ' ' GLU . 0.1 OUTLIER -92.05 -42.7 9.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.723 ' N ' HD23 ' A' ' 91' ' ' LEU . 14.5 pt-20 -42.59 -27.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.1 t -74.16 -57.32 4.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.1 t -43.0 -60.36 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.434 ' HB3' HD12 ' A' ' 99' ' ' LEU . 48.3 mt -51.81 -38.1 54.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.958 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.6 t -67.97 -34.25 76.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 -75.85 -52.37 10.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -64.78 -65.61 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.434 HD12 ' HB3' ' A' ' 95' ' ' LEU . 13.5 mt -65.53 92.41 0.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.9 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.5 m -119.22 110.74 17.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.916 0.388 . . . . 0.0 110.839 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.4 m -134.43 121.17 20.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.66 40.02 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.446 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 t -112.63 143.35 43.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.834 0.35 . . . . 0.0 110.867 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -50.87 178.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.32 80.09 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.7 p -105.61 166.58 10.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.805 0.336 . . . . 0.0 111.117 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.2 mm -95.07 -40.7 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.4 t -56.04 -48.93 75.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -50.14 -34.34 21.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -71.36 152.26 94.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.611 0.72 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 142.78 49.05 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.715 2.277 . . . . 0.0 112.354 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.597 ' CE2' ' O ' ' A' ' 45' ' ' ASP . 6.5 t80 -47.0 -63.43 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 14' ' ' TYR . 8.2 ttp180 -32.98 -57.93 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.32 -51.46 54.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.413 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 49.0 mtp180 -57.13 -31.94 65.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.617 HG13 HD11 ' A' ' 32' ' ' LEU . 76.1 t -73.4 -59.08 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.473 HG13 ' N ' ' A' ' 20' ' ' HIS . 16.4 pt -57.61 -46.25 86.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.59 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 15.3 m80 -52.79 -23.97 7.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.5 mt -90.35 -49.34 6.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.947 HD11 HD23 ' A' ' 53' ' ' LEU . 67.9 mt -61.38 -28.88 69.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.612 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -51.75 -67.75 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.3 mt -42.34 -46.83 4.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HE2' ' CZ ' ' A' ' 27' ' ' TYR . 39.0 pttt -162.6 166.83 24.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.7 137.19 51.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.058 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.704 ' HB2' HD23 ' A' ' 22' ' ' LEU . 16.1 m-85 -128.25 144.29 51.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 29' ' ' LYS . 22.0 mttt -88.71 150.19 23.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.604 ' CE ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -35.57 -54.51 1.25 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.575 0.702 . . . . 0.0 110.882 179.796 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.5 Cg_endo -69.75 -49.8 0.53 Allowed 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.736 2.291 . . . . 0.0 112.373 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -55.76 -63.58 1.13 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.981 HD12 HD21 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -38.58 -42.17 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.535 HD11 ' NZ ' ' A' ' 29' ' ' LYS . 13.2 mt -61.08 -53.75 53.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.1 -21.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.41 ' N ' ' C ' ' A' ' 33' ' ' LEU . 13.4 mmm180 -89.17 -32.39 17.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 33' ' ' LEU . 17.2 mt -90.7 -53.89 4.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.493 ' N ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -36.47 -46.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -51.02 -54.51 23.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -69.55 -19.49 63.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.13 110.4 1.9 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.493 HG23 ' N ' ' A' ' 37' ' ' GLN . 13.2 t -120.44 114.55 44.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 111.136 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -76.39 133.02 40.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -39.65 -55.45 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.6 ptpt -52.0 -42.33 62.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.597 ' O ' ' CE2' ' A' ' 14' ' ' TYR . 69.6 m-20 -79.67 -16.35 55.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.82 -45.32 24.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -70.58 -38.97 74.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.8 m -68.24 -26.78 65.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.604 HD13 ' CE ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -40.89 -58.06 1.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -48.41 -35.96 16.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.36 -40.74 70.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 111.109 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.444 ' O ' HG22 ' A' ' 56' ' ' VAL . 67.5 mt -66.32 -45.62 89.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.981 HD21 HD12 ' A' ' 32' ' ' LEU . 14.3 mt -48.58 -36.53 15.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -86.06 -18.14 33.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -88.51 -22.97 23.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 52' ' ' ILE . 17.5 m -124.36 -22.54 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.668 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -124.53 177.36 5.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -130.78 129.24 42.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.812 HD12 ' OH ' ' A' ' 66' ' ' TYR . 2.3 tt -78.57 133.55 37.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.576 ' N ' HD23 ' A' ' 59' ' ' LEU . 10.7 t-20 -112.83 92.6 4.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 60' ' ' ASN . 67.0 m -36.83 -32.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 60' ' ' ASN . 23.5 tptt -41.89 -69.75 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -113.54 15.85 18.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.847 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.425 HD23 HD21 ' A' ' 59' ' ' LEU . 10.9 mt 51.19 38.47 21.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.6 p -111.93 137.64 49.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.829 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.812 ' OH ' HD12 ' A' ' 59' ' ' LEU . 52.8 m-85 -87.73 119.9 28.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.0 p -101.93 125.39 48.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.118 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.612 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -56.81 128.54 37.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -51.03 -178.44 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.553 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 5.0 p-10 -97.34 -39.75 9.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.663 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.6 p90 -67.48 -42.21 83.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.663 HG23 ' CE1' ' A' ' 71' ' ' TYR . 69.3 t -51.42 -32.29 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.553 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 17.0 m-85 -49.31 -32.19 10.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.2 pttt -74.19 -28.03 61.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -75.98 -24.91 55.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.558 HD12 HD21 ' A' ' 95' ' ' LEU . 70.5 mt -47.5 172.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' A' ' 80' ' ' TRP . 21.3 mm-40 -123.6 94.8 4.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -42.04 -24.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 77' ' ' GLN . 2.5 m-20 -103.11 35.53 2.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.59 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 72.7 t-105 -69.61 127.45 92.67 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.524 0.678 . . . . 0.0 110.946 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.558 ' HD2' ' CE3' ' A' ' 80' ' ' TRP . 54.5 Cg_endo -69.72 -5.05 15.24 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.692 2.261 . . . . 0.0 112.399 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.44 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -84.78 -16.46 65.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.502 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.899 ' CE2' HD13 ' A' ' 91' ' ' LEU . 17.8 m-85 -95.2 119.91 34.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.93 0.395 . . . . 0.0 110.903 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.1 m -81.4 -178.75 7.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -46.34 -24.74 0.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.453 ' O ' ' C ' ' A' ' 87' ' ' ASP . 5.3 mm -94.72 -65.08 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.152 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 86' ' ' ILE . 2.9 m-20 -34.3 -57.02 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -43.39 -54.84 4.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -69.83 -19.51 63.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.4 m -87.83 -18.12 30.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.899 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -91.89 -40.5 11.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.869 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.646 ' N ' HD23 ' A' ' 91' ' ' LEU . 7.6 pt-20 -44.74 -30.07 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.1 t -65.27 -63.27 1.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.1 t -41.21 -59.42 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.558 HD21 HD12 ' A' ' 76' ' ' LEU . 42.8 mt -54.7 -34.46 62.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.5 t -69.26 -39.2 78.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 -74.36 -40.49 62.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.404 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 21.3 mmtp -73.27 -61.9 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 50.2 mt -72.32 99.98 2.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.931 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -93.36 173.56 7.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.379 . . . . 0.0 110.844 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.8 p -80.98 128.79 34.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.39 125.86 0.96 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.443 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.5 p -122.27 46.44 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 0.0 110.899 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -139.13 165.18 27.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.56 165.19 38.45 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.1 p -155.92 171.54 19.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.737 0.303 . . . . 0.0 111.127 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.456 HD13 ' HG2' ' A' ' 81' ' ' PRO . 27.3 mm -68.28 -44.59 83.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.5 p -51.32 -47.43 62.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -53.58 -22.41 8.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -80.44 151.56 72.09 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.603 0.716 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 141.43 45.22 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.729 2.286 . . . . 0.0 112.322 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 15' ' ' ARG . 4.5 t80 -44.73 -63.61 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 14' ' ' TYR . 15.1 ttm180 -34.01 -60.86 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.24 -52.9 14.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.487 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 34.2 mtp180 -56.71 -30.93 63.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.618 HG13 HD11 ' A' ' 32' ' ' LEU . 88.9 t -76.12 -59.59 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.482 HG13 ' N ' ' A' ' 20' ' ' HIS . 17.1 pt -56.84 -46.12 83.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.127 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.613 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 15.7 m80 -53.56 -26.64 22.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.6 mt -86.69 -46.51 9.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.854 HD11 HD23 ' A' ' 53' ' ' LEU . 60.6 mt -63.24 -31.66 72.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.576 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -48.14 -64.62 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.9 mt -43.46 -50.01 7.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.0 pttt -161.97 171.95 16.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.441 ' HB2' HG22 ' A' ' 67' ' ' THR . . . -69.7 132.34 45.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.716 ' HB2' HD23 ' A' ' 22' ' ' LEU . 15.6 m-85 -126.3 135.86 52.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -80.25 156.18 26.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.616 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 5.0 tptm -41.2 -53.55 6.56 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.566 0.698 . . . . 0.0 110.931 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.616 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.73 -50.74 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.702 2.268 . . . . 0.0 112.363 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -54.31 -63.27 1.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.882 HD12 HD21 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -40.04 -46.59 2.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 36' ' ' LEU . 9.3 mt -53.57 -60.39 3.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -32.62 -48.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.494 ' HA ' ' CE ' ' A' ' 38' ' ' LYS . 8.8 mmt180 -61.34 -44.68 96.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 33' ' ' LEU . 46.7 mt -74.4 -58.01 3.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.449 ' NE2' ' HD3' ' A' ' 46' ' ' LYS . 17.5 mm-40 -41.12 -33.47 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.494 ' CE ' ' HA ' ' A' ' 35' ' ' ARG . 22.2 mtmt -45.52 -55.6 6.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -78.84 -22.88 45.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.32 122.81 2.53 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.5 t -123.28 136.84 58.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 111.111 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -82.68 125.92 31.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.82 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -46.48 -46.4 18.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -57.8 -28.65 64.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.6 -26.5 27.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.449 ' HD3' ' NE2' ' A' ' 37' ' ' GLN . 32.8 mtmt -56.29 -48.9 75.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -65.27 -32.44 74.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 p -75.12 -34.05 61.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.613 HD22 ' CD1' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -41.29 -57.32 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.931 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.85 -36.03 13.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.73 -44.89 65.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.762 0.315 . . . . 0.0 111.093 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' GLN . 47.8 mt -61.97 -47.87 91.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.882 HD21 HD12 ' A' ' 32' ' ' LEU . 14.5 mt -45.82 -34.34 3.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -87.76 -20.72 25.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 52' ' ' ILE . 30.9 mt-30 -84.6 -24.03 29.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.462 ' CG2' HG22 ' A' ' 19' ' ' ILE . 20.9 m -122.75 -23.58 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.641 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -124.9 177.37 6.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.078 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -126.98 130.78 50.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.601 HD23 ' N ' ' A' ' 60' ' ' ASN . 0.7 OUTLIER -78.72 131.53 36.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.601 ' N ' HD23 ' A' ' 59' ' ' LEU . 2.3 t-20 -109.97 95.41 5.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.8 t -43.46 -24.92 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.1 tptt -49.91 -65.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -116.93 13.97 15.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.7 mt 56.48 24.98 9.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.1 p -98.38 143.43 28.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.544 ' CB ' HD22 ' A' ' 53' ' ' LEU . 61.2 m-85 -93.5 126.54 38.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.441 HG22 ' HB2' ' A' ' 26' ' ' ALA . 67.1 p -108.68 124.59 50.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.119 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.576 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.27 129.17 37.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.428 ' HB2' HG23 ' A' ' 72' ' ' VAL . 27.4 mttm -51.86 -174.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.455 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 1.6 m-20 -97.28 -44.8 6.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.54 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.9 p90 -64.73 -46.56 81.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.54 HG23 ' CE1' ' A' ' 71' ' ' TYR . 58.1 t -45.19 -35.02 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.13 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.487 ' CE1' HD13 ' A' ' 68' ' ' LEU . 15.6 m-85 -46.78 -36.69 7.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -69.49 -31.88 70.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -71.6 -23.7 61.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 66.7 mt -51.28 170.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -128.54 115.65 18.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.6 mtm180 -60.38 -20.48 59.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -98.64 22.79 9.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.613 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 68.6 t-105 -62.28 118.88 44.39 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.605 0.717 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.456 ' HG2' HD13 ' A' ' 9' ' ' ILE . 53.6 Cg_endo -69.8 0.96 4.92 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.309 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -90.81 -9.52 64.07 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.507 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.859 ' CE2' HD13 ' A' ' 91' ' ' LEU . 20.8 m-85 -100.68 118.07 36.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 110.936 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 86' ' ' ILE . 61.4 m -75.85 173.3 11.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -39.33 -26.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.469 ' N ' ' O ' ' A' ' 84' ' ' SER . 6.5 mm -93.97 -64.05 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 86' ' ' ILE . 3.4 m-20 -33.91 -51.97 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.435 ' N ' ' HB3' ' A' ' 83' ' ' TYR . 97.5 mtt180 -50.62 -64.06 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.441 ' HB2' ' NH1' ' A' ' 89' ' ' ARG . 0.6 OUTLIER -58.55 -22.73 56.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.892 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -82.52 -20.39 36.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.859 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.08 -46.49 7.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.771 ' N ' HD23 ' A' ' 91' ' ' LEU . 9.2 pt-20 -43.05 -25.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 34.6 t -73.06 -58.83 3.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 88.1 t -44.56 -51.95 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 61.1 mt -60.95 -37.55 82.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.0 t -67.52 -32.7 73.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.9 mtm180 -79.35 -49.9 11.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 47.4 mmtt -66.54 -62.96 1.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 35.2 mt -69.1 99.31 1.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 179.908 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -127.3 -48.69 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.853 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.8 t -55.8 115.56 2.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.9 -93.9 0.21 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.468 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.8 m -88.4 120.27 29.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.905 0.383 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.2 m -62.72 90.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.51 125.8 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.442 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.6 p -100.2 169.02 9.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.313 . . . . 0.0 111.155 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.6 mm -80.26 -38.98 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.123 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.2 t -59.45 -47.9 83.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -59.85 -30.26 68.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.431 ' HG3' ' CZ3' ' A' ' 80' ' ' TRP . 5.0 mmp_? -70.44 152.65 95.42 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.57 0.7 . . . . 0.0 110.861 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 14' ' ' TYR . 53.5 Cg_endo -69.79 132.77 23.99 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.708 2.272 . . . . 0.0 112.313 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.446 ' C ' ' O ' ' A' ' 13' ' ' PRO . 5.6 t80 -34.98 -64.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 14' ' ' TYR . 16.1 ttp180 -34.23 -58.71 0.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.65 -50.73 23.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -57.18 -38.99 74.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.577 HG13 HD11 ' A' ' 32' ' ' LEU . 72.2 t -68.54 -59.63 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.484 HG13 ' N ' ' A' ' 20' ' ' HIS . 24.4 pt -54.88 -41.19 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.773 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 9.0 m80 -57.76 -35.0 70.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 82.5 mt -81.54 -41.64 21.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.813 HD11 HD23 ' A' ' 53' ' ' LEU . 40.4 mt -65.32 -31.73 73.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.598 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -52.94 -65.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.508 HD11 ' OD2' ' A' ' 87' ' ' ASP . 15.8 mt -38.84 -47.17 1.38 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -167.06 172.97 9.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.04 134.44 47.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.058 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.491 ' HB2' HD23 ' A' ' 22' ' ' LEU . 12.2 m-85 -126.82 153.83 45.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 29' ' ' LYS . 3.8 mptt -96.38 149.34 21.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.609 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.3 tptm -36.9 -54.03 1.82 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.592 0.711 . . . . 0.0 110.903 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.609 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.7 Cg_endo -69.77 -49.78 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -56.07 -63.69 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.663 HD12 HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -38.86 -42.08 0.8 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 36' ' ' LEU . 10.2 mt -60.12 -55.91 28.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -39.82 -25.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.504 ' HA ' ' CE ' ' A' ' 38' ' ' LYS . 57.7 mmt-85 -85.29 -37.26 20.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' A' ' 33' ' ' LEU . 25.6 mt -82.04 -50.56 8.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.515 ' NE2' ' HD3' ' A' ' 46' ' ' LYS . 18.3 mm-40 -51.78 -42.3 62.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.954 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.504 ' CE ' ' HA ' ' A' ' 35' ' ' ARG . 1.3 ptpt -54.04 -38.78 65.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -84.01 -26.65 28.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.91 106.83 1.07 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.513 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.415 HG23 ' C ' ' A' ' 36' ' ' LEU . 19.1 t -120.23 151.13 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 111.138 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' A' ' 45' ' ' ASP . 1.9 t-20 -108.48 125.71 52.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -38.14 -35.39 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -60.5 -44.88 95.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 48' ' ' SER . 5.9 m-20 -69.08 -43.66 74.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.515 ' HD3' ' NE2' ' A' ' 37' ' ' GLN . 4.5 mtmp? -37.96 -40.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -72.61 -43.23 63.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 45' ' ' ASP . 25.3 m -62.76 -40.8 98.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.591 HD22 ' CD1' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -38.63 -68.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.42 -37.69 1.24 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.05 -35.36 49.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.736 0.303 . . . . 0.0 111.086 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.642 ' O ' HG22 ' A' ' 56' ' ' VAL . 84.3 mt -69.12 -41.0 81.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.152 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.813 HD23 HD11 ' A' ' 22' ' ' LEU . 12.5 mt -53.03 -34.13 55.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -90.17 -14.72 32.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.427 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 7.7 mm100 -91.74 -24.5 19.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.642 HG22 ' O ' ' A' ' 52' ' ' ILE . 26.2 m -120.24 -26.42 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.759 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -123.24 177.36 5.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -127.98 129.22 46.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.61 HD23 ' N ' ' A' ' 60' ' ' ASN . 2.1 tt -79.01 133.17 36.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.61 ' N ' HD23 ' A' ' 59' ' ' LEU . 29.1 t30 -111.28 94.71 5.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.6 t -39.14 -27.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 60' ' ' ASN . 6.8 tptp -48.16 -68.05 0.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -115.73 20.22 14.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.8 mt 48.24 26.2 1.02 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 99.7 p -97.42 143.0 28.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.637 ' CG ' HD22 ' A' ' 53' ' ' LEU . 48.5 m-85 -92.61 129.01 38.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 38.2 p -113.55 124.61 52.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.156 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.598 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.17 129.03 36.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.479 ' HB2' HG23 ' A' ' 72' ' ' VAL . 29.3 mttm -51.93 -175.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.541 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 4.9 p-10 -97.58 -43.45 7.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.501 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.7 p90 -65.9 -40.71 91.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.502 HG11 HD21 ' A' ' 68' ' ' LEU . 53.1 t -53.2 -31.92 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.095 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.541 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 15.1 m-85 -49.04 -33.11 10.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -73.49 -31.9 63.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -69.15 -23.21 63.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.0 mt -55.65 164.23 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -126.34 114.04 17.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 -57.21 -14.33 4.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -99.91 18.65 17.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.773 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 73.0 t-105 -64.39 120.28 63.74 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.545 0.688 . . . . 0.0 110.926 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -5.15 15.52 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.31 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.455 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -84.02 -11.8 78.1 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.793 ' CE2' HD13 ' A' ' 91' ' ' LEU . 25.1 m-85 -96.53 114.0 25.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.864 0.364 . . . . 0.0 110.914 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.465 ' N ' ' HB2' ' A' ' 87' ' ' ASP . 31.5 m -67.28 176.77 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -50.72 -22.92 2.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.501 HD12 ' N ' ' A' ' 86' ' ' ILE . 4.5 mp -96.74 -45.77 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.508 ' OD2' HD11 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -50.19 -54.39 21.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 -45.49 -50.13 13.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.406 ' CG ' ' O ' ' A' ' 86' ' ' ILE . 4.5 ptm180 -71.86 -23.8 61.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -80.69 -20.92 41.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.793 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.03 -47.4 7.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.788 ' N ' HD23 ' A' ' 91' ' ' LEU . 8.7 pt-20 -44.41 -24.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.7 t -77.29 -53.22 7.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 74.9 t -47.98 -51.08 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.091 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.5 ' HB3' HD12 ' A' ' 99' ' ' LEU . 32.2 mt -57.13 -34.22 68.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.9 t -68.0 -39.54 83.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -76.19 -38.77 56.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.525 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 37.5 mmtm -78.0 -63.99 1.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.5 HD12 ' HB3' ' A' ' 95' ' ' LEU . 36.1 mt -68.64 97.27 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.966 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.921 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.2 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.851 0.358 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -55.18 -24.38 26.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -80.43 152.26 72.88 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.644 0.735 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 134.84 29.11 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.273 . . . . 0.0 112.389 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.452 ' O ' ' C ' ' A' ' 15' ' ' ARG . 5.6 t80 -41.84 -61.05 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 14' ' ' TYR . 15.1 ttp180 -33.52 -66.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.412 ' HA ' HD11 ' A' ' 19' ' ' ILE . 2.9 m-20 -43.73 -57.52 3.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.419 ' HA ' ' CZ2' ' A' ' 80' ' ' TRP . 64.9 mtp180 -49.52 -37.15 25.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.686 HG13 HD11 ' A' ' 32' ' ' LEU . 83.9 t -70.56 -65.53 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.484 HG13 ' N ' ' A' ' 20' ' ' HIS . 27.4 pt -48.36 -43.93 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.717 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 13.2 m80 -53.2 -27.54 22.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.805 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 58.9 mt -88.42 -47.46 8.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.937 HD11 HD23 ' A' ' 53' ' ' LEU . 46.7 mt -64.17 -22.18 66.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.819 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -54.16 -69.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.1 mt -43.5 -46.36 6.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.426 ' HE2' ' CZ ' ' A' ' 27' ' ' TYR . 31.4 pttt -161.59 169.93 20.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.527 ' HB1' ' O ' ' A' ' 66' ' ' TYR . . . -74.93 143.3 43.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.426 ' CZ ' ' HE2' ' A' ' 25' ' ' LYS . 12.2 m-85 -130.13 154.92 47.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.91 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 29' ' ' LYS . 8.7 mptt -91.76 147.72 22.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.899 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.6 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.2 tptm -35.81 -54.68 1.32 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.608 0.718 . . . . 0.0 110.904 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.6 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.2 Cg_endo -69.73 -50.48 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.651 2.234 . . . . 0.0 112.357 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 32' ' ' LEU . 9.8 tt0 -54.52 -66.96 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.947 HD12 HD21 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -34.11 -44.16 0.17 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 35' ' ' ARG . 12.8 mt -61.24 -55.29 33.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.501 ' O ' ' CG ' ' A' ' 38' ' ' LYS . . . -40.21 -24.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 33' ' ' LEU . 13.9 mmt180 -85.16 -44.49 12.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' GLN . 10.4 mt -78.87 -54.04 6.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.566 ' HA ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -35.91 -45.64 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -42.44 -58.37 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.79 -24.22 65.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.68 111.81 1.83 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.492 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.566 HG23 ' HA ' ' A' ' 37' ' ' GLN . 18.9 t -114.47 123.64 70.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.83 0.348 . . . . 0.0 111.146 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -64.67 136.19 56.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -57.55 -49.67 75.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -56.53 -24.57 47.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -87.7 -36.33 17.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.853 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -42.65 -34.24 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -82.82 -42.49 17.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 98.4 p -60.59 -35.63 76.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.565 HD22 ' CD1' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -39.79 -57.37 1.57 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.38 -38.18 12.87 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.435 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.82 -41.85 64.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.798 0.332 . . . . 0.0 111.105 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.466 ' O ' HG22 ' A' ' 56' ' ' VAL . 65.0 mt -63.3 -46.95 94.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.947 HD21 HD12 ' A' ' 32' ' ' LEU . 13.9 mt -47.79 -32.44 6.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -89.03 -20.21 24.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -84.86 -24.05 28.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 52' ' ' ILE . 34.8 m -124.94 -21.81 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.172 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.747 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -124.4 177.31 5.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.113 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -134.46 121.7 21.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.785 HD23 ' N ' ' A' ' 60' ' ' ASN . 3.1 tt -78.6 130.31 35.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.785 ' N ' HD23 ' A' ' 59' ' ' LEU . 4.0 t-20 -108.55 104.21 13.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.7 p -43.19 -26.03 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.3 tptt -49.11 -67.62 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -117.21 23.62 11.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.584 ' HA ' HD21 ' A' ' 59' ' ' LEU . 17.2 mt 43.36 33.14 0.57 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.9 p -106.29 135.72 47.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.534 ' CD1' ' HB3' ' A' ' 53' ' ' LEU . 92.1 m-85 -83.95 131.41 34.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.1 p -111.13 124.48 52.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.163 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.819 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -61.41 122.09 14.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.484 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . 40.3 mttt -48.76 178.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.572 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 26.8 t0 -89.9 -61.47 1.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.485 ' CG ' ' N ' ' A' ' 72' ' ' VAL . 2.6 p90 -48.87 -44.3 39.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.595 HG11 HD21 ' A' ' 68' ' ' LEU . 81.6 t -46.93 -36.25 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.15 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.579 ' CD2' ' HG3' ' A' ' 98' ' ' LYS . 26.2 m-85 -47.59 -32.48 5.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -73.21 -29.54 62.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -74.73 -24.07 58.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 73' ' ' PHE . 64.2 mt -54.39 178.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -130.33 114.94 16.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 85.0 mtm-85 -60.97 -17.64 52.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -105.61 31.89 4.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.717 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 73.2 t-105 -71.52 125.49 91.77 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.532 0.682 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -0.26 6.64 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.697 2.265 . . . . 0.0 112.355 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -92.06 -8.08 63.53 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.851 ' CE2' HD13 ' A' ' 91' ' ' LEU . 24.2 m-85 -98.23 114.1 26.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.896 0.379 . . . . 0.0 110.918 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.8 m -71.52 176.73 4.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -47.91 -25.55 1.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.65 ' N ' HD12 ' A' ' 86' ' ' ILE . 3.0 mp -94.32 -56.88 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.198 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -41.76 -55.17 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.462 ' HG3' ' CB ' ' A' ' 83' ' ' TYR . 46.4 mtp180 -44.5 -50.1 9.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.402 ' CG ' ' O ' ' A' ' 86' ' ' ILE . 5.0 ptm180 -74.29 -19.4 60.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 t -85.03 -19.45 31.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.851 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.17 -42.33 9.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.94 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.696 ' N ' HD23 ' A' ' 91' ' ' LEU . 8.1 pt-20 -45.84 -24.34 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.3 t -70.27 -70.39 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 97' ' ' ARG . 61.9 t -37.91 -66.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.431 HD22 ' HB3' ' A' ' 73' ' ' PHE . 14.8 mt -42.01 -39.69 1.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.2 t -71.95 -31.57 66.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 94' ' ' VAL . 8.2 mmt180 -79.92 -28.85 39.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.579 ' HG3' ' CD2' ' A' ' 73' ' ' PHE . 8.5 mmmt -93.16 -58.49 2.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 64.2 mt -68.37 94.45 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.877 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.5 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.78 0.324 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -44.56 -27.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -77.12 152.63 82.19 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.625 0.726 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 145.9 58.54 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.701 2.267 . . . . 0.0 112.33 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.481 ' CE2' ' HG ' ' A' ' 49' ' ' LEU . 3.4 t80 -51.98 -64.42 0.82 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.473 ' HG2' ' N ' ' A' ' 16' ' ' ASP . 25.5 ttm180 -33.19 -72.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.488 ' OD1' ' CE1' ' A' ' 20' ' ' HIS . 11.3 t0 -40.21 -56.35 1.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 -49.09 -39.5 28.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.707 HG13 HD11 ' A' ' 32' ' ' LEU . 64.7 t -67.05 -64.83 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.156 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.476 HG13 ' N ' ' A' ' 20' ' ' HIS . 26.9 pt -48.53 -43.76 13.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.771 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 7.7 m80 -55.13 -26.73 40.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.8 mt -89.35 -47.81 7.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.936 HD11 HD23 ' A' ' 53' ' ' LEU . 51.1 mt -60.26 -28.22 67.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.745 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -53.6 -64.97 0.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.07 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.9 mt -41.41 -45.7 3.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 ptmt -167.74 172.1 9.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.53 134.04 46.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.079 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.497 ' HB2' HD23 ' A' ' 22' ' ' LEU . 12.0 m-85 -124.93 154.3 41.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -95.03 146.23 24.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.587 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.2 tptm -34.88 -55.05 0.98 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.573 0.701 . . . . 0.0 110.901 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.0 Cg_endo -69.71 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.727 2.284 . . . . 0.0 112.375 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -54.48 -63.46 1.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.773 HD12 HD21 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -38.44 -45.01 0.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 36' ' ' LEU . 7.9 mt -57.03 -57.34 13.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -35.81 -36.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -70.82 -46.38 62.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 33' ' ' LEU . 24.4 mt -75.91 -56.99 4.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.52 ' N ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -38.85 -36.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -47.92 -59.12 3.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -76.73 -17.11 59.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.54 125.03 2.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.52 HG23 ' N ' ' A' ' 37' ' ' GLN . 18.6 t -131.73 117.41 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 111.129 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -58.43 152.41 17.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -74.34 -49.46 22.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.5 ptpp? -56.24 -24.1 40.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -88.02 -34.3 18.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -44.2 -49.79 9.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -71.77 -37.23 70.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.5 m -64.9 -29.24 70.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.6 HD22 ' CD1' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -47.29 -54.96 9.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.49 -33.08 8.11 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.42 -43.93 30.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.737 0.303 . . . . 0.0 111.135 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.559 ' O ' HG22 ' A' ' 56' ' ' VAL . 45.2 mt -61.49 -42.35 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.936 HD23 HD11 ' A' ' 22' ' ' LEU . 13.3 mt -52.91 -34.89 57.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -86.71 -16.65 35.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.406 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 27.8 mt-30 -87.42 -25.05 23.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 52' ' ' ILE . 34.4 m -123.98 -22.21 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.727 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -124.53 177.59 5.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -134.28 127.08 31.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.611 HD23 ' N ' ' A' ' 60' ' ' ASN . 4.7 tt -79.08 127.43 31.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.611 ' N ' HD23 ' A' ' 59' ' ' LEU . 12.5 t-20 -105.19 100.32 9.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 99.5 p -43.05 -24.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 60' ' ' ASN . 6.7 tttp -49.37 -67.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.16 11.54 17.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.0 mt 56.19 28.2 12.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 90.7 p -104.19 139.07 39.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.552 ' CZ ' HD12 ' A' ' 59' ' ' LEU . 43.1 m-85 -83.66 123.52 29.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.8 p -105.67 124.46 49.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.745 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -57.61 129.43 41.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.408 ' HB2' HG23 ' A' ' 72' ' ' VAL . 29.3 mttm -51.71 -177.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.499 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 17.7 p-10 -97.98 -38.52 9.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.786 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.572 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.6 p90 -69.59 -44.81 70.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.572 HG23 ' CE1' ' A' ' 71' ' ' TYR . 49.8 t -49.77 -32.17 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.551 ' CE2' ' HG3' ' A' ' 98' ' ' LYS . 11.6 m-85 -47.47 -33.61 6.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -74.73 -31.18 61.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -70.81 -19.15 62.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.96 177.98 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -145.99 125.55 13.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.7 mtt85 -66.68 -17.86 65.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -80.51 -5.32 56.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.771 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 65.1 t-105 -52.72 130.27 46.51 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.589 0.709 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -26.7 27.17 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.655 2.236 . . . . 0.0 112.343 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.75 -22.92 35.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.843 ' CE2' HD13 ' A' ' 91' ' ' LEU . 17.6 m-85 -95.2 115.83 27.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.855 0.359 . . . . 0.0 110.944 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 73.6 m -74.91 -176.56 2.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -49.98 -23.41 2.0 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.452 ' O ' ' C ' ' A' ' 87' ' ' ASP . 4.5 mp -96.6 -64.37 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 86' ' ' ILE . 1.4 m-20 -34.44 -54.53 0.53 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.814 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 88' ' ' ARG . 14.5 mtp-105 -45.18 -51.98 9.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -72.42 -21.3 61.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 m -85.38 -16.17 40.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.843 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.01 -43.21 9.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.699 ' N ' HD23 ' A' ' 91' ' ' LEU . 19.0 pt-20 -48.99 -19.79 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.4 t -73.01 -61.81 1.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.4 t -46.31 -58.16 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 51.6 mt -50.71 -33.68 23.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.2 t -69.8 -42.06 74.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -69.81 -46.15 66.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.551 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 57.0 mmtt -69.97 -67.94 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 28.8 mt -65.64 93.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.889 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.873 0.368 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 47.6 mm-40 -51.45 -31.78 24.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 mmt-85 -72.37 151.21 91.94 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.623 0.725 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 150.72 68.57 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.678 2.252 . . . . 0.0 112.369 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.433 ' O ' ' C ' ' A' ' 15' ' ' ARG . 5.3 t80 -53.92 -63.87 1.01 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 14' ' ' TYR . 3.1 ttp-105 -34.19 -52.24 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.17 -55.5 30.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.471 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 44.8 mtp180 -55.35 -28.6 54.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.647 HG13 HD11 ' A' ' 32' ' ' LEU . 42.6 t -77.07 -59.66 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.486 HG13 ' N ' ' A' ' 20' ' ' HIS . 11.8 pt -57.96 -48.64 83.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.69 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 12.4 m80 -49.25 -28.45 4.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.0 mt -84.73 -49.28 8.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.785 HD11 HD23 ' A' ' 53' ' ' LEU . 40.8 mt -59.93 -30.57 69.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.583 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -46.61 -74.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.436 HD22 ' HB3' ' A' ' 90' ' ' SER . 79.7 mt -39.24 -45.93 1.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.414 ' HE2' ' CZ ' ' A' ' 27' ' ' TYR . 36.3 pttt -161.85 161.27 28.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.61 143.09 53.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.639 ' HB2' HD23 ' A' ' 22' ' ' LEU . 11.3 m-85 -129.18 161.58 29.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.953 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -101.84 148.91 24.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.908 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.594 ' CE ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -35.27 -55.28 1.07 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.615 0.722 . . . . 0.0 110.907 179.856 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.584 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.8 -50.66 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.647 2.231 . . . . 0.0 112.368 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 32' ' ' LEU . 9.4 tt0 -55.37 -64.21 0.92 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.909 HD12 HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -37.45 -45.11 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.51 HD11 ' NZ ' ' A' ' 29' ' ' LYS . 11.5 mt -56.62 -60.15 3.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -33.65 -38.7 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.075 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 33' ' ' LEU . 6.1 mmm180 -71.46 -46.94 58.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 33' ' ' LEU . 14.2 mt -72.13 -55.9 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.471 ' NE2' ' HB ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -43.75 -35.72 1.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -48.92 -54.49 15.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.47 -27.25 58.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.72 115.84 1.63 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.46 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.471 ' HB ' ' NE2' ' A' ' 37' ' ' GLN . 22.7 t -122.54 146.12 28.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.83 0.347 . . . . 0.0 111.102 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -89.69 119.22 29.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -45.08 -29.74 0.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -71.66 -40.18 69.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.68 -28.44 61.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -46.72 -49.44 19.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -64.56 -40.75 96.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.6 p -64.81 -32.79 74.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.594 HD13 ' CE ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -43.92 -55.64 4.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -50.03 -35.72 26.25 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.78 -42.0 64.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 55' ' ' GLN . 59.0 mt -64.15 -46.97 92.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.909 HD21 HD12 ' A' ' 32' ' ' LEU . 15.5 mt -46.65 -34.44 5.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -87.0 -21.6 26.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' ILE . 14.8 mm-40 -84.47 -22.68 30.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.48 ' CG2' HG22 ' A' ' 19' ' ' ILE . 18.9 m -124.13 -22.76 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.662 ' HB3' ' O ' ' A' ' 53' ' ' LEU . . . -125.33 177.36 6.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.072 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -133.84 130.2 37.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.819 HD23 ' N ' ' A' ' 60' ' ' ASN . 4.2 tt -79.4 130.37 35.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.819 ' N ' HD23 ' A' ' 59' ' ' LEU . 19.7 t30 -106.1 98.8 8.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.7 t -39.62 -30.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -46.16 -66.86 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -116.03 15.79 16.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.577 ' HA ' HD21 ' A' ' 59' ' ' LEU . 40.0 mt 51.45 26.72 3.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.1 p -97.34 140.96 31.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.469 ' CB ' HD22 ' A' ' 53' ' ' LEU . 72.3 m-85 -88.62 117.17 27.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.9 p -100.65 125.75 47.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.583 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -57.61 128.21 35.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.401 ' HE3' ' C ' ' A' ' 55' ' ' GLN . 28.9 mttm -49.57 -179.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.573 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -96.77 -40.69 8.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.689 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.5 p90 -66.6 -42.52 86.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.689 HG23 ' CE1' ' A' ' 71' ' ' TYR . 78.9 t -50.65 -34.61 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.083 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 18.8 m-85 -47.27 -31.4 3.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -73.73 -30.92 63.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -71.39 -31.04 66.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.448 HD12 HD21 ' A' ' 95' ' ' LEU . 77.7 mt -45.24 167.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -122.24 113.59 19.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.421 ' NH2' ' HA ' ' A' ' 92' ' ' GLU . 10.1 mmt180 -54.86 -25.21 27.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -98.16 30.73 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.69 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 73.1 t-105 -67.41 119.06 62.53 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.615 0.721 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -6.53 18.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.462 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -83.47 -15.24 71.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.521 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.865 ' CE2' HD13 ' A' ' 91' ' ' LEU . 23.2 m-85 -93.92 115.39 27.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 0.0 110.946 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.406 ' C ' ' N ' ' A' ' 86' ' ' ILE . 58.5 m -75.74 175.82 8.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -42.85 -24.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 87' ' ' ASP . 7.8 mm -92.64 -62.78 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.104 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.457 ' HB2' ' CA ' ' A' ' 83' ' ' TYR . 3.3 m-20 -36.04 -56.77 0.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -44.5 -60.17 2.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -61.07 -22.16 64.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.436 ' HB3' HD22 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -84.63 -23.05 29.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.773 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.865 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.13 -35.39 13.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.534 ' N ' HD23 ' A' ' 91' ' ' LEU . 13.9 pt-20 -55.64 -18.02 6.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t -88.11 -62.87 1.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.46 ' CG1' ' N ' ' A' ' 95' ' ' LEU . 3.0 p -46.3 -41.88 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.46 ' N ' ' CG1' ' A' ' 94' ' ' VAL . 84.4 mt -70.55 -24.32 62.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -79.79 -42.23 24.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -75.28 -34.95 61.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -73.6 -56.69 4.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.1 mt -77.87 94.27 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.915 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.0 m . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.849 0.357 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -68.84 -33.71 74.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.9 mmp_? -68.8 155.21 93.71 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.604 0.716 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 149.07 66.5 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.673 2.249 . . . . 0.0 112.336 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.463 ' O ' ' C ' ' A' ' 15' ' ' ARG . 6.3 t80 -48.35 -66.88 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.467 ' O ' HG23 ' A' ' 19' ' ' ILE . 12.6 ttp180 -33.56 -52.52 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.81 -54.2 31.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.488 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 32.6 mtp180 -58.57 -30.69 67.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.539 HG13 HD11 ' A' ' 32' ' ' LEU . 99.2 t -73.27 -49.36 38.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.635 HG22 HG21 ' A' ' 56' ' ' VAL . 17.6 pt -68.66 -33.64 60.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.733 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 9.0 m80 -65.79 -24.87 67.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.1 mt -89.5 -45.54 9.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.813 HD11 HD23 ' A' ' 53' ' ' LEU . 66.8 mt -63.4 -28.94 70.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.619 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -50.67 -68.38 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.4 mt -41.71 -50.82 4.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.9 pttt -157.94 170.14 22.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.567 ' HB2' HG22 ' A' ' 67' ' ' THR . . . -73.48 135.36 44.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.599 ' HB2' HD23 ' A' ' 22' ' ' LEU . 12.4 m-85 -125.85 147.5 49.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 29' ' ' LYS . 18.2 mttt -89.47 147.95 23.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.582 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.2 tptm -34.25 -55.3 0.84 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.504 0.669 . . . . 0.0 110.876 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.2 Cg_endo -69.78 -48.46 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -56.09 -63.57 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.756 HD12 HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -38.53 -43.64 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.93 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 36' ' ' LEU . 8.7 mt -58.03 -59.04 5.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.448 ' O ' ' CD ' ' A' ' 38' ' ' LYS . . . -35.57 -32.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 33' ' ' LEU . 8.1 mmm180 -77.68 -45.34 25.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 33' ' ' LEU . 29.1 mt -74.96 -54.27 7.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.447 ' HA ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -43.71 -38.92 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.448 ' CD ' ' O ' ' A' ' 34' ' ' ALA . 19.1 mtpt -47.1 -59.02 3.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -72.99 -19.26 61.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.93 122.44 2.63 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.447 HG23 ' HA ' ' A' ' 37' ' ' GLN . 18.5 t -125.76 145.8 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.824 0.345 . . . . 0.0 111.113 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 -90.42 126.03 35.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -50.86 -51.96 46.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.32 -20.82 12.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -91.41 -33.91 15.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -49.84 -50.41 45.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -58.68 -36.5 74.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.3 m -73.68 -33.42 64.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.468 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -39.37 -55.45 1.74 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -49.08 -37.3 22.89 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.474 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.65 -41.05 63.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.332 . . . . 0.0 111.103 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.494 ' O ' HG22 ' A' ' 56' ' ' VAL . 66.8 mt -62.58 -46.3 96.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.813 HD23 HD11 ' A' ' 22' ' ' LEU . 27.3 mt -48.3 -33.92 9.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -88.84 -17.91 28.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -86.7 -23.47 25.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.635 HG21 HG22 ' A' ' 19' ' ' ILE . 34.4 m -123.57 -24.28 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.642 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -126.62 177.42 6.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -126.09 133.45 51.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.599 HD23 ' N ' ' A' ' 60' ' ' ASN . 2.2 tt -78.85 132.2 36.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.599 ' N ' HD23 ' A' ' 59' ' ' LEU . 27.3 t30 -109.56 91.42 3.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 60' ' ' ASN . 2.0 m -38.51 -33.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -40.97 -68.38 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -116.84 12.68 14.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.9 mt 59.88 26.12 15.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.1 p -97.47 138.21 35.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.819 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.687 ' CE2' HD13 ' A' ' 53' ' ' LEU . 49.3 m-85 -89.56 127.54 35.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.567 HG22 ' HB2' ' A' ' 26' ' ' ALA . 44.2 p -109.22 124.4 50.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.098 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.619 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.03 128.59 34.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.429 ' HB2' HG23 ' A' ' 72' ' ' VAL . 30.9 mttm -51.14 -175.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.491 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 8.8 t70 -97.38 -41.3 8.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.546 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.8 p90 -67.41 -44.13 79.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.546 HG23 ' CE1' ' A' ' 71' ' ' TYR . 59.4 t -49.19 -32.83 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.147 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.491 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 14.6 m-85 -48.42 -32.77 8.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.27 -28.53 61.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -74.99 -23.64 58.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.405 HD12 HD21 ' A' ' 95' ' ' LEU . 61.2 mt -52.96 175.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -134.67 104.92 6.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.8 mtt180 -53.21 -16.43 1.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -98.31 19.52 14.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.733 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 74.6 t-105 -63.97 120.13 61.16 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.546 0.689 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 2.54 3.44 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.445 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -90.44 -10.84 63.25 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.886 ' CE2' HD13 ' A' ' 91' ' ' LEU . 25.0 m-85 -97.55 114.84 26.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.924 0.392 . . . . 0.0 110.886 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.5 m -67.74 179.09 1.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.855 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -49.48 -22.81 1.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.2 mp -95.64 -56.83 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.134 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.434 ' HB2' ' CA ' ' A' ' 83' ' ' TYR . 42.6 m-20 -41.76 -51.28 4.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.7 mtp-105 -48.0 -51.3 24.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -71.57 -20.64 61.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 m -84.45 -20.7 31.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.886 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.1 -37.46 12.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.576 ' N ' HD23 ' A' ' 91' ' ' LEU . 8.6 pt-20 -54.64 -17.33 3.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 t -84.76 -63.95 1.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.523 ' CG1' ' N ' ' A' ' 95' ' ' LEU . 1.9 p -45.68 -44.88 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.523 ' N ' ' CG1' ' A' ' 94' ' ' VAL . 66.4 mt -62.36 -27.74 69.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t -80.05 -49.28 12.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -65.01 -35.79 82.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.43 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 53.4 mmtt -73.95 -55.22 6.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.401 HD12 ' O ' ' A' ' 95' ' ' LEU . 8.9 mt -81.27 101.11 9.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.919 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.6 m120 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.916 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.846 0.355 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -82.64 -30.25 29.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -75.93 151.29 84.17 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.643 0.735 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.419 ' HG2' ' CG ' ' A' ' 16' ' ' ASP . 53.7 Cg_endo -69.75 141.98 46.72 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.715 2.276 . . . . 0.0 112.315 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.467 ' O ' ' C ' ' A' ' 15' ' ' ARG . 4.4 t80 -43.83 -66.65 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.467 ' C ' ' O ' ' A' ' 14' ' ' TYR . 18.6 ttp180 -32.89 -54.36 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.419 ' CG ' ' HG2' ' A' ' 13' ' ' PRO . 0.9 OUTLIER -53.73 -52.92 58.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.493 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 63.9 mtp180 -56.51 -30.43 63.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.697 HG13 HD11 ' A' ' 32' ' ' LEU . 70.4 t -76.11 -60.5 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.449 HG13 ' N ' ' A' ' 20' ' ' HIS . 28.3 pt -55.83 -40.39 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.587 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 12.9 m80 -58.86 -27.6 65.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 76.4 mt -89.31 -43.38 10.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.748 HD11 HD23 ' A' ' 53' ' ' LEU . 35.5 mt -64.85 -32.71 74.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.687 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -48.67 -63.94 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.8 mt -42.0 -50.43 4.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 22' ' ' LEU . 32.2 pttt -161.56 169.85 20.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.476 ' HB2' HG22 ' A' ' 67' ' ' THR . . . -70.12 133.83 47.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.55 ' HB2' HD23 ' A' ' 22' ' ' LEU . 11.2 m-85 -124.23 153.31 41.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -95.53 147.25 23.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.59 ' CE ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -34.33 -55.39 0.84 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.547 0.689 . . . . 0.0 110.883 179.886 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.4 Cg_endo -69.7 -50.37 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.688 2.259 . . . . 0.0 112.374 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 32' ' ' LEU . 10.5 tt0 -53.86 -64.66 0.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.705 HD12 HD21 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -36.54 -46.9 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.539 HD11 ' NZ ' ' A' ' 29' ' ' LYS . 14.3 mt -56.14 -57.38 12.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.962 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -34.82 -37.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 33' ' ' LEU . 22.2 mmt-85 -75.66 -44.51 42.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 33' ' ' LEU . 50.4 mt -74.05 -57.81 3.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.402 ' HA ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -38.27 -35.92 0.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.868 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -45.73 -57.75 4.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.6 -17.7 57.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.15 132.62 3.67 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.446 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.402 HG23 ' HA ' ' A' ' 37' ' ' GLN . 19.2 t -138.59 118.18 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.8 0.333 . . . . 0.0 111.129 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -59.79 142.03 54.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -63.57 -38.61 91.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -66.96 -25.93 66.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -87.89 -27.07 22.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -50.48 -51.25 48.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -70.88 -38.48 73.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.6 m -63.62 -29.96 71.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.59 HD13 ' CE ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -43.93 -45.11 7.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -56.85 -34.2 64.8 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.52 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.42 -45.14 66.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.75 0.309 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.557 ' O ' HG22 ' A' ' 56' ' ' VAL . 52.2 mt -65.02 -42.49 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.748 HD23 HD11 ' A' ' 22' ' ' LEU . 14.1 mt -50.7 -33.12 21.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -88.98 -20.07 24.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -84.98 -27.52 26.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.557 HG22 ' O ' ' A' ' 52' ' ' ILE . 31.8 m -118.2 -26.15 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.605 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -124.57 177.01 6.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -129.66 133.04 46.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.731 HD23 ' N ' ' A' ' 60' ' ' ASN . 1.4 tt -79.76 134.77 36.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.731 ' N ' HD23 ' A' ' 59' ' ' LEU . 7.0 t-20 -109.91 103.01 11.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.7 t -46.29 -24.09 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -48.35 -69.52 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.87 25.64 7.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.57 ' HA ' HD21 ' A' ' 59' ' ' LEU . 6.6 mp 51.76 34.47 13.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.4 p -99.93 129.68 46.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.477 ' CB ' HD22 ' A' ' 53' ' ' LEU . 82.8 m-85 -87.23 118.48 26.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.95 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.476 HG22 ' HB2' ' A' ' 26' ' ' ALA . 35.8 p -101.37 125.09 47.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.687 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.52 128.62 35.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -51.72 -178.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.573 ' HA ' ' CE2' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -89.3 -68.57 0.77 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.6 ' CG ' ' N ' ' A' ' 72' ' ' VAL . 2.8 p90 -44.69 -51.19 9.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.6 ' N ' ' CG ' ' A' ' 71' ' ' TYR . 59.9 t -39.98 -31.36 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.14 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' A' ' 70' ' ' ASP . 18.2 m-85 -50.92 -43.52 59.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 75' ' ' GLU . 11.4 ptmt -62.4 -27.37 69.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 74' ' ' LYS . 23.0 mt-10 -71.54 -35.22 70.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.529 HD12 HD21 ' A' ' 95' ' ' LEU . 83.2 mt -46.54 169.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -136.54 114.19 11.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -57.29 -23.07 46.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -79.16 -15.84 57.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.587 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 72.2 t-105 -41.22 128.47 2.13 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.593 0.711 . . . . 0.0 110.932 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -36.39 10.83 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -44.83 -24.13 0.69 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.51 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.747 ' CE2' HD13 ' A' ' 91' ' ' LEU . 24.5 m-85 -85.83 120.96 27.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.948 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.5 m -84.43 176.9 8.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -44.08 -24.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 87' ' ' ASP . 7.6 mm -96.56 -61.9 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.101 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 86' ' ' ILE . 16.2 m-20 -34.54 -60.7 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -40.79 -59.15 1.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -64.27 -22.91 67.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 87' ' ' ASP . 1.3 t -83.6 -20.8 33.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.804 HD23 ' N ' ' A' ' 92' ' ' GLU . 0.1 OUTLIER -92.03 -46.32 7.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.804 ' N ' HD23 ' A' ' 91' ' ' LEU . 13.8 pt-20 -43.31 -24.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.3 t -72.64 -60.92 2.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 71.3 t -43.49 -63.75 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.529 HD21 HD12 ' A' ' 76' ' ' LEU . 23.9 mt -47.58 -27.07 1.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.3 t -80.02 -40.05 28.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -70.88 -48.22 54.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -65.9 -69.67 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.1 mt -58.69 96.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.913 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.827 0.346 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -85.68 -22.36 27.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -78.83 150.07 74.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.611 0.72 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 14' ' ' TYR . 53.9 Cg_endo -69.8 138.41 37.63 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.713 2.275 . . . . 0.0 112.344 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.454 ' O ' ' C ' ' A' ' 15' ' ' ARG . 4.2 t80 -34.54 -63.17 0.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 14' ' ' TYR . 11.2 ttp180 -33.39 -62.65 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -45.99 -52.73 11.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.487 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 48.1 mtp180 -59.81 -28.74 67.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.7 t -75.58 -55.3 11.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.583 HG22 HG21 ' A' ' 56' ' ' VAL . 12.1 pt -63.46 -42.46 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.638 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 12.0 m80 -54.31 -29.2 46.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.823 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.459 HD13 HD23 ' A' ' 32' ' ' LEU . 77.5 mt -83.39 -48.37 10.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.862 HD11 HD23 ' A' ' 53' ' ' LEU . 38.7 mt -64.16 -27.51 69.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.718 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -50.85 -66.77 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.4 mt -41.15 -50.8 3.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 pttt -160.9 172.74 16.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.06 134.77 48.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.693 ' HB2' HD23 ' A' ' 22' ' ' LEU . 12.2 m-85 -125.54 154.26 42.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -96.47 148.95 22.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.904 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.601 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.0 tptm -35.95 -54.53 1.39 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 0.0 110.959 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.2 Cg_endo -69.83 -50.57 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.723 2.282 . . . . 0.0 112.282 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 32' ' ' LEU . 8.0 tt0 -55.3 -63.74 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.813 HD12 HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -36.93 -43.9 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.946 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 36' ' ' LEU . 10.0 mt -59.88 -58.0 10.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -34.13 -35.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 33' ' ' LEU . 49.3 mmt-85 -71.45 -47.57 54.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 33' ' ' LEU . 14.6 mt -75.31 -53.93 7.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.434 ' HA ' HG23 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -42.49 -26.66 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -60.43 -55.78 29.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -79.29 -13.87 59.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.837 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.8 130.62 3.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.434 HG23 ' HA ' ' A' ' 37' ' ' GLN . 37.2 t -139.39 115.81 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.795 0.331 . . . . 0.0 111.118 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -61.3 153.78 25.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -74.98 -43.15 55.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -26.66 64.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 48' ' ' SER . 1.2 m-20 -86.68 -38.11 17.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -38.64 -41.0 0.65 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -78.88 -37.14 40.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 45' ' ' ASP . 50.1 m -65.54 -22.85 66.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.805 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.526 HD22 ' CD1' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -54.36 -59.38 4.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.87 -31.77 4.24 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.448 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.81 -43.05 31.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.744 0.307 . . . . 0.0 111.094 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.609 ' O ' HG22 ' A' ' 56' ' ' VAL . 66.0 mt -63.27 -42.32 95.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.862 HD23 HD11 ' A' ' 22' ' ' LEU . 14.7 mt -50.65 -33.29 21.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -88.8 -21.84 23.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -82.65 -24.59 33.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 52' ' ' ILE . 34.8 m -123.39 -25.37 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.66 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -123.12 177.28 5.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -130.92 131.03 44.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.76 HD12 ' OH ' ' A' ' 66' ' ' TYR . 2.4 tt -78.55 129.94 35.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.497 ' O ' ' N ' ' A' ' 62' ' ' LYS . 2.1 t-20 -107.64 86.04 2.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 60' ' ' ASN . 10.9 t -34.7 -32.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 60' ' ' ASN . 1.2 tppp? -43.2 -67.22 0.29 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -116.09 16.81 15.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.485 HD23 HD21 ' A' ' 59' ' ' LEU . 7.2 mt 52.3 32.3 10.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.5 p -105.03 133.04 50.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.76 ' OH ' HD12 ' A' ' 59' ' ' LEU . 48.4 m-85 -84.58 121.97 28.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.933 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.8 p -103.94 124.69 49.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.718 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -59.1 126.93 29.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -50.08 179.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.834 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.569 ' HA ' ' CE2' ' A' ' 73' ' ' PHE . 18.0 t70 -91.27 -60.56 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.687 ' CE1' HG23 ' A' ' 72' ' ' VAL . 2.3 p90 -48.64 -48.6 39.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.706 HG11 HD21 ' A' ' 68' ' ' LEU . 54.5 t -42.77 -37.54 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' A' ' 70' ' ' ASP . 19.3 m-85 -44.91 -39.92 5.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -66.4 -31.05 71.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 72' ' ' VAL . 16.1 mt-10 -72.37 -28.33 62.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.573 HD12 HD21 ' A' ' 95' ' ' LEU . 79.4 mt -42.86 166.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -126.65 101.86 6.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.44 ' NH1' ' HB3' ' A' ' 92' ' ' GLU . 7.0 mmm180 -50.06 -22.27 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -95.34 25.71 4.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.638 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 70.4 t-105 -65.1 119.68 60.78 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 121.575 0.702 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 3.4 2.81 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.315 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.429 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -98.02 5.65 61.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.465 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.841 ' CE2' HD13 ' A' ' 91' ' ' LEU . 21.5 m-85 -108.58 119.6 39.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.909 0.385 . . . . 0.0 110.939 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.404 ' N ' ' HB2' ' A' ' 87' ' ' ASP . 3.5 m -76.99 -176.33 3.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -51.71 -29.83 19.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.638 ' N ' HD12 ' A' ' 86' ' ' ILE . 3.4 mp -92.24 -56.9 4.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 90' ' ' SER . 19.4 m-20 -36.64 -61.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -39.83 -58.29 1.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -65.76 -21.24 66.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 87' ' ' ASP . 1.2 t -81.66 -20.8 38.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.841 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.14 -45.04 8.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.737 ' N ' HD23 ' A' ' 91' ' ' LEU . 9.2 pt-20 -44.65 -22.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.4 ' N ' ' C ' ' A' ' 91' ' ' LEU . 36.8 t -74.09 -64.71 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.862 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 73.5 t -38.66 -59.15 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.573 HD21 HD12 ' A' ' 76' ' ' LEU . 26.3 mt -50.02 -39.23 40.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 42.5 t -65.65 -35.07 79.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 -75.15 -49.75 18.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.524 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 68.0 mmtt -69.3 -71.9 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.93 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.552 HD12 ' HB3' ' A' ' 95' ' ' LEU . 17.8 mt -56.68 94.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 99' ' ' LEU . 3.2 t-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.806 0.336 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -55.67 -29.92 60.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -70.63 152.89 95.22 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.598 0.713 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.402 ' HG2' ' CG ' ' A' ' 16' ' ' ASP . 53.5 Cg_endo -69.76 133.99 26.91 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.643 2.229 . . . . 0.0 112.336 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.461 ' O ' ' C ' ' A' ' 15' ' ' ARG . 5.9 t80 -42.17 -63.55 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 14' ' ' TYR . 17.8 ttp180 -33.37 -54.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.402 ' CG ' ' HG2' ' A' ' 13' ' ' PRO . 0.8 OUTLIER -54.95 -57.92 9.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.816 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.472 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 38.3 mtp180 -49.13 -32.02 9.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.529 HG13 HD11 ' A' ' 32' ' ' LEU . 89.4 t -74.38 -65.68 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.466 HG22 ' CG2' ' A' ' 56' ' ' VAL . 21.8 pt -49.96 -42.58 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.652 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 14.5 m80 -54.84 -27.01 39.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.0 mt -89.04 -42.73 11.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.796 HD11 HD23 ' A' ' 53' ' ' LEU . 48.5 mt -64.37 -32.09 73.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.568 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -49.93 -69.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.158 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.3 mt -38.54 -45.01 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.976 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.6 pttt -167.23 166.08 15.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.23 137.15 52.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.091 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.457 ' HB2' HD23 ' A' ' 22' ' ' LEU . 11.7 m-85 -125.57 155.47 40.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -95.31 155.86 16.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.583 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -41.94 -55.59 5.95 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.584 0.707 . . . . 0.0 110.871 179.865 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.77 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.72 2.28 . . . . 0.0 112.343 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 32' ' ' LEU . 20.2 tt0 -53.91 -65.34 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.961 HD12 HD21 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -35.07 -45.81 0.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.558 HD21 HD12 ' A' ' 49' ' ' LEU . 14.6 mt -59.05 -56.57 20.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.415 ' O ' ' CD ' ' A' ' 38' ' ' LYS . . . -37.37 -29.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 33' ' ' LEU . 18.6 mmt180 -79.24 -48.28 14.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 17' ' ' ARG . 15.1 mt -73.37 -54.18 8.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.497 ' HA ' HG23 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -42.9 -34.69 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.415 ' CD ' ' O ' ' A' ' 34' ' ' ALA . 20.0 mtpt -50.28 -58.66 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -75.42 -14.06 60.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.95 131.42 3.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.497 HG23 ' HA ' ' A' ' 37' ' ' GLN . 45.0 t -138.44 119.72 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 0.0 111.122 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -66.38 156.7 33.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -70.74 -45.44 64.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.469 ' H ' ' CD ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -56.09 -29.8 61.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -83.19 -37.21 23.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.411 ' HG3' HG12 ' A' ' 41' ' ' VAL . 30.9 mttt -46.1 -41.98 13.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -73.7 -41.54 62.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.8 m -63.46 -31.48 72.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.574 HD13 ' CE ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -45.33 -66.86 0.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.462 ' N ' ' HZ1' ' A' ' 29' ' ' LYS . . . -43.92 -32.44 2.29 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.42 -38.35 34.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.806 0.336 . . . . 0.0 111.144 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.535 ' O ' HG22 ' A' ' 56' ' ' VAL . 76.1 mt -67.68 -42.55 86.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.961 HD21 HD12 ' A' ' 32' ' ' LEU . 13.6 mt -50.3 -35.92 29.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -87.42 -18.04 30.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.428 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 29.0 mm-40 -87.12 -23.76 24.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 52' ' ' ILE . 23.6 m -122.3 -23.94 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.723 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -125.28 176.71 6.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -127.82 128.34 45.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.686 HD23 ' N ' ' A' ' 60' ' ' ASN . 1.3 tt -78.69 133.83 37.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.686 ' N ' HD23 ' A' ' 59' ' ' LEU . 28.0 t30 -112.22 102.06 10.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.1 t -45.19 -36.14 3.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.4 tptp -41.79 -68.45 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -114.54 21.04 14.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 60' ' ' ASN . 18.4 mt 45.29 31.76 0.88 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.6 p -100.33 146.1 27.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.521 ' CZ ' ' HG ' ' A' ' 59' ' ' LEU . 68.8 m-85 -98.17 119.4 36.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.0 p -102.98 125.3 49.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.163 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.568 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -56.03 129.41 39.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.442 ' HB2' HG23 ' A' ' 72' ' ' VAL . 28.9 mttm -51.29 -176.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.433 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 5.3 p-10 -97.35 -44.71 6.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.521 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.8 p90 -64.89 -42.16 95.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.969 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.536 HG11 HD21 ' A' ' 68' ' ' LEU . 64.6 t -50.13 -34.33 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.463 ' CE1' HD13 ' A' ' 68' ' ' LEU . 16.5 m-85 -48.7 -30.7 5.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.409 ' NZ ' ' HB3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -74.48 -29.09 61.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -72.44 -32.45 66.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.44 HD12 HD21 ' A' ' 95' ' ' LEU . 73.3 mt -44.46 163.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -121.19 104.25 9.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.426 ' NH1' ' HB3' ' A' ' 92' ' ' GLU . 6.9 mmm180 -48.49 -28.77 3.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -90.88 27.54 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.652 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 74.0 t-105 -67.34 121.61 79.47 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.533 0.683 . . . . 0.0 110.939 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -4.56 14.29 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.647 2.231 . . . . 0.0 112.363 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.453 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -86.24 -1.15 86.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.926 ' CE2' HD13 ' A' ' 91' ' ' LEU . 23.2 m-85 -108.25 114.13 27.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.91 0.386 . . . . 0.0 110.927 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.4 m -72.92 177.22 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.897 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -44.99 -23.32 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.715 ' N ' HD12 ' A' ' 86' ' ' ILE . 2.6 mp -94.88 -64.26 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 86' ' ' ILE . 1.4 m-20 -33.9 -55.45 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.8 mtp85 -44.42 -56.07 4.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -67.51 -21.16 65.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 m -84.38 -21.84 30.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.797 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.926 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.06 -37.24 12.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.577 ' N ' HD23 ' A' ' 91' ' ' LEU . 7.1 pt-20 -53.7 -18.35 3.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 96' ' ' SER . 8.9 t -78.48 -68.7 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 98.4 t -36.69 -60.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.129 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.44 HD21 HD12 ' A' ' 76' ' ' LEU . 52.4 mt -51.93 -35.07 44.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 93' ' ' SER . 12.0 t -72.34 -26.59 61.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 97' ' ' ARG . 8.1 mtp-105 -90.98 -21.45 21.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -93.23 -60.94 1.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.21 93.75 0.64 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.951 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.5 p . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.837 0.351 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.415 ' NE2' ' HA ' ' A' ' 11' ' ' GLN . 6.3 mm-40 -70.78 -27.05 63.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -73.16 153.61 90.53 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.612 0.72 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 14' ' ' TYR . 53.4 Cg_endo -69.83 128.3 15.76 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.3 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.501 ' CE2' ' HB3' ' A' ' 45' ' ' ASP . 4.1 t80 -34.36 -65.1 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 14' ' ' TYR . 22.0 ttt-85 -33.7 -58.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.445 ' OD1' ' NH1' ' A' ' 15' ' ' ARG . 0.7 OUTLIER -49.14 -54.05 18.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.49 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 44.4 mtp180 -54.91 -32.43 61.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.42 HG13 HD11 ' A' ' 32' ' ' LEU . 94.4 t -72.18 -62.9 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.469 HG13 ' N ' ' A' ' 20' ' ' HIS . 25.7 pt -54.95 -42.1 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.187 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.767 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 9.5 m80 -56.21 -23.31 34.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.3 mt -90.36 -51.97 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.603 HD11 HD23 ' A' ' 53' ' ' LEU . 13.1 mt -59.3 -30.45 68.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.625 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -48.81 -64.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.421 ' HA ' HD23 ' A' ' 24' ' ' LEU . 12.9 mt -45.75 -45.41 14.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.421 ' HE2' ' CZ ' ' A' ' 27' ' ' TYR . 25.1 pttt -164.82 168.44 17.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.48 139.75 51.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.421 ' CZ ' ' HE2' ' A' ' 25' ' ' LYS . 14.7 m-85 -129.83 156.69 43.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -97.46 149.53 22.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.608 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.3 tptm -36.67 -53.99 1.73 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.544 0.688 . . . . 0.0 110.92 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.608 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.2 Cg_endo -69.77 -49.89 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.384 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -56.93 -64.21 0.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.785 HD12 HD21 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -38.89 -43.75 0.98 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.629 HD21 HD12 ' A' ' 49' ' ' LEU . 9.4 mt -55.96 -63.06 1.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -32.15 -52.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.501 ' HA ' ' CE ' ' A' ' 38' ' ' LYS . 12.9 mmt180 -51.5 -46.34 63.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 33' ' ' LEU . 9.5 mt -76.93 -54.32 6.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.43 -26.73 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.501 ' CE ' ' HA ' ' A' ' 35' ' ' ARG . 29.7 mtmt -51.98 -45.91 64.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.01 -27.4 22.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.06 109.49 1.21 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.449 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.4 t -108.42 137.63 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.323 . . . . 0.0 111.137 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -76.4 153.47 35.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -63.79 -51.88 62.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.8 pttt -52.07 -29.52 21.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.501 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 13.1 m-20 -79.45 -35.81 39.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.4 mtpt -57.5 -41.25 80.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -82.97 -29.9 28.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.4 m -89.35 7.8 33.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.629 HD12 HD21 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -74.57 -68.82 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 49' ' ' LEU . . . -35.87 -31.85 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . -72.6 -48.36 40.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 0.0 111.117 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.514 ' O ' HG22 ' A' ' 56' ' ' VAL . 81.9 mt -59.32 -45.14 93.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.785 HD21 HD12 ' A' ' 32' ' ' LEU . 37.3 mt -51.29 -36.9 44.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -86.33 -12.86 48.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.428 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 6.5 mm100 -92.58 -22.72 19.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 52' ' ' ILE . 30.7 m -124.95 -21.82 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 53' ' ' LEU . . . -126.19 177.35 6.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -129.83 128.31 42.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.787 HD23 ' N ' ' A' ' 60' ' ' ASN . 2.1 tt -79.34 139.19 37.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.787 ' N ' HD23 ' A' ' 59' ' ' LEU . 36.2 t30 -118.37 96.57 5.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m -40.47 -36.6 0.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.44 -65.99 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -117.57 23.08 11.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.0 mt 41.76 37.19 0.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.9 p -106.83 141.2 38.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.51 ' OH ' HD12 ' A' ' 59' ' ' LEU . 48.1 m-85 -93.17 122.76 35.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.0 p -105.53 124.76 50.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.125 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.625 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -57.75 127.59 32.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.428 ' HE3' ' C ' ' A' ' 55' ' ' GLN . 31.5 mttm -49.7 -179.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.569 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 14.2 p-10 -97.49 -39.13 9.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.737 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.5 p90 -67.63 -38.47 83.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.737 HG23 ' CE1' ' A' ' 71' ' ' TYR . 70.5 t -56.85 -30.36 32.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.569 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 14.6 m-85 -50.7 -29.21 10.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -77.72 -32.2 52.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -70.87 -29.51 65.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.7 mt -47.17 171.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -138.61 114.25 9.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 85.7 mtm-85 -58.87 -25.99 63.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -76.06 -0.18 20.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.767 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 70.7 t-105 -54.4 121.86 34.54 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.544 0.688 . . . . 0.0 110.913 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -25.01 28.95 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -58.81 -17.99 37.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.445 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.712 ' CE2' HD13 ' A' ' 91' ' ' LEU . 25.4 m-85 -91.14 116.89 29.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.912 0.387 . . . . 0.0 110.881 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.458 ' N ' ' HB2' ' A' ' 87' ' ' ASP . 41.1 m -71.61 -176.14 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -55.46 -24.96 33.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.736 ' N ' HD12 ' A' ' 86' ' ' ILE . 1.9 mp -96.29 -43.25 12.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.458 ' HB2' ' N ' ' A' ' 84' ' ' SER . 4.8 m-20 -51.94 -56.57 13.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -44.04 -49.96 8.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -73.06 -23.18 60.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 t -80.67 -19.0 46.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.844 HD23 ' N ' ' A' ' 92' ' ' GLU . 0.1 OUTLIER -92.07 -49.44 6.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.918 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.844 ' N ' HD23 ' A' ' 91' ' ' LEU . 10.8 pt-20 -41.13 -29.2 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.6 t -65.89 -67.62 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 97' ' ' ARG . 88.6 t -39.17 -64.36 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 57.2 mt -40.53 -40.17 1.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.9 t -68.98 -40.59 78.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 94' ' ' VAL . 9.4 mmm180 -65.58 -35.96 82.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -85.67 -66.32 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.0 mt -65.76 92.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.409 ' C ' ' OD1' ' A' ' 100' ' ' ASN . 30.0 t-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 t . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.829 0.347 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -42.13 -35.39 0.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.947 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -69.4 147.34 96.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.59 0.71 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 146.51 60.53 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.249 . . . . 0.0 112.339 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.429 ' O ' ' C ' ' A' ' 15' ' ' ARG . 3.2 t80 -42.75 -64.09 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 14' ' ' TYR . 12.0 ttp180 -35.77 -63.75 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -43.41 -56.5 3.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.45 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 26.3 mtp180 -53.38 -33.56 54.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.701 HG13 HD11 ' A' ' 32' ' ' LEU . 69.7 t -75.0 -63.94 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.502 HG22 HG21 ' A' ' 56' ' ' VAL . 8.7 pt -50.23 -39.38 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.565 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 12.6 m80 -61.86 -24.93 67.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 76.1 mt -89.63 -44.03 10.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.626 HD11 HD23 ' A' ' 53' ' ' LEU . 15.5 mt -65.44 -30.25 71.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.972 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.654 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -49.73 -61.18 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.066 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.591 HD11 ' OD2' ' A' ' 87' ' ' ASP . 15.3 mt -46.61 -47.43 19.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 pttt -163.62 169.88 17.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.1 138.49 49.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.432 ' HB2' HD23 ' A' ' 22' ' ' LEU . 11.8 m-85 -127.9 155.96 43.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.82 149.55 22.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.607 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.2 tptm -37.52 -54.08 2.24 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.557 0.694 . . . . 0.0 110.904 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.607 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.4 Cg_endo -69.78 -51.1 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.656 2.238 . . . . 0.0 112.366 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 32' ' ' LEU . 36.4 tt0 -55.39 -64.13 0.94 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.788 HD12 HD21 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -36.27 -44.18 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.94 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.554 HD21 HD12 ' A' ' 49' ' ' LEU . 16.1 mt -60.45 -56.34 22.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -37.73 -27.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 33' ' ' LEU . 21.8 mmt180 -82.73 -48.61 10.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 38' ' ' LYS . 12.2 mt -73.23 -53.53 10.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.442 ' NE2' ' HB ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -38.57 -27.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 36' ' ' LEU . 18.8 mtpp -65.18 -52.97 51.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -68.96 -16.13 63.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.91 102.13 2.23 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.442 ' HB ' ' NE2' ' A' ' 37' ' ' GLN . 15.5 t -106.75 149.52 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.36 . . . . 0.0 111.099 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -96.94 130.35 44.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -52.24 -39.24 60.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.8 pttt -64.02 -31.32 72.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -84.01 -33.23 24.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -43.63 -40.36 4.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -77.13 -40.25 46.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.1 p -64.85 -28.74 69.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.554 HD12 HD21 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -45.03 -60.67 1.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -43.96 -40.91 5.77 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.505 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.66 -46.16 76.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.767 0.318 . . . . 0.0 111.089 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 55' ' ' GLN . 70.5 mt -60.56 -49.32 84.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.179 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.788 HD21 HD12 ' A' ' 32' ' ' LEU . 33.6 mt -43.73 -33.08 1.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -88.87 -23.69 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 52' ' ' ILE . 23.5 mt-30 -79.69 -23.73 42.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.502 HG21 HG22 ' A' ' 19' ' ' ILE . 36.0 m -124.37 -23.04 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 53' ' ' LEU . . . -125.11 177.38 6.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -129.65 130.06 45.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.693 HD23 ' N ' ' A' ' 60' ' ' ASN . 1.5 tt -78.61 137.45 37.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.693 ' N ' HD23 ' A' ' 59' ' ' LEU . 2.4 t-20 -117.53 95.52 4.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.5 m -39.37 -35.18 0.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -41.06 -68.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -117.33 27.46 9.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 21.9 mt 39.47 40.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 86.8 p -110.21 145.25 37.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.819 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.658 ' CE2' HD13 ' A' ' 53' ' ' LEU . 48.4 m-85 -95.86 122.68 38.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.2 p -104.68 124.65 49.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.654 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -58.07 128.42 37.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.42 ' HE3' ' C ' ' A' ' 55' ' ' GLN . 30.3 mttm -51.07 -178.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.543 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 3.6 t0 -97.25 -39.42 9.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.726 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.5 p90 -67.3 -42.15 84.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.883 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.726 HG23 ' CE1' ' A' ' 71' ' ' TYR . 66.0 t -51.87 -32.98 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.555 ' CE2' ' HG3' ' A' ' 98' ' ' LYS . 15.6 m-85 -48.42 -32.86 8.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -73.88 -30.6 62.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -73.99 -25.16 59.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.435 HD23 HG13 ' A' ' 19' ' ' ILE . 69.8 mt -50.23 178.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -135.99 120.42 18.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.6 mtm180 -63.57 -28.13 69.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -91.15 27.45 1.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.565 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 74.2 t-105 -70.39 120.88 81.31 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.552 0.691 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -1.35 8.32 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.298 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.46 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -87.93 -8.31 72.85 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.86 ' CE2' HD13 ' A' ' 91' ' ' LEU . 25.0 m-85 -101.61 114.86 29.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.0 110.934 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.5 m -67.58 177.26 2.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -47.8 -28.23 2.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.569 ' N ' HD12 ' A' ' 86' ' ' ILE . 3.8 mp -90.1 -56.78 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.168 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.591 ' OD2' HD11 ' A' ' 24' ' ' LEU . 4.4 m-20 -39.4 -56.67 1.54 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.828 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -43.13 -49.75 6.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -76.49 -17.06 59.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 87' ' ' ASP . 1.8 t -87.99 -18.93 27.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.86 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.01 -32.77 15.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.488 ' N ' HD23 ' A' ' 91' ' ' LEU . 15.7 pt-20 -58.04 -13.26 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.3 t -82.62 -61.74 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 97' ' ' ARG . 69.7 t -43.34 -61.88 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.149 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.401 ' HB3' HD12 ' A' ' 99' ' ' LEU . 36.5 mt -42.8 -44.27 4.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.7 t -65.62 -33.34 75.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 94' ' ' VAL . 11.2 mmm180 -72.83 -37.36 67.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.555 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 51.9 mmtt -86.86 -67.42 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.401 HD12 ' HB3' ' A' ' 95' ' ' LEU . 34.2 mt -61.49 95.38 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.932 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.406 ' HA ' ' NH1' ' A' ' 17' ' ' ARG . 87.6 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.869 0.366 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -64.02 -33.14 75.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.433 ' HG3' ' CZ3' ' A' ' 80' ' ' TRP . 39.8 mmt180 -67.96 153.19 95.66 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.628 0.727 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 136.34 32.76 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.688 2.259 . . . . 0.0 112.377 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.467 ' CD2' ' HB3' ' A' ' 45' ' ' ASP . 5.6 t80 -40.24 -64.2 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.971 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 14' ' ' TYR . 18.2 ttm180 -33.73 -54.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.76 -54.13 48.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.406 ' NH1' ' HA ' ' A' ' 10' ' ' SER . 55.7 mtp180 -53.44 -28.72 31.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.3 t -77.81 -63.24 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.6 HG22 HG21 ' A' ' 56' ' ' VAL . 9.5 pt -53.88 -45.2 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.564 ' CD2' ' CG ' ' A' ' 80' ' ' TRP . 14.0 m80 -53.6 -29.51 38.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.6 mt -82.72 -49.52 9.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.822 HD11 HD23 ' A' ' 53' ' ' LEU . 46.4 mt -60.42 -28.88 68.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.65 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -50.97 -66.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.3 mt -41.86 -51.49 4.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.6 pttt -159.94 170.15 21.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.89 134.41 48.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.056 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.582 ' HB2' HD23 ' A' ' 22' ' ' LEU . 12.6 m-85 -125.32 153.08 43.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 29' ' ' LYS . 25.0 mttt -96.67 148.59 22.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.59 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.2 tptm -34.73 -54.99 0.95 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.6 0.714 . . . . 0.0 110.876 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.59 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.8 Cg_endo -69.7 -50.76 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.329 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 32' ' ' LEU . 10.5 tt0 -55.22 -63.96 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.784 HD12 HD21 ' A' ' 53' ' ' LEU . 0.9 OUTLIER -37.74 -44.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.928 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 36' ' ' LEU . 13.6 mt -58.8 -57.71 11.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -32.8 -39.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 33' ' ' LEU . 16.3 mmm180 -70.97 -49.15 48.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.522 ' C ' HG23 ' A' ' 41' ' ' VAL . 8.6 mt -67.85 -54.59 17.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.438 ' NE2' ' HB ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -50.04 -38.47 37.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.957 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -49.8 -48.5 50.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -84.6 -19.53 32.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.41 119.21 2.22 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.481 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.522 HG23 ' C ' ' A' ' 36' ' ' LEU . 18.4 t -127.63 132.24 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.338 . . . . 0.0 111.137 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -86.69 131.85 34.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -43.37 -53.33 5.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.6 pttt -46.99 -35.44 6.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.467 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 15.8 m-20 -84.09 -42.3 16.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.824 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -26.56 68.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -80.27 -35.08 36.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 m -93.69 12.27 26.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.459 HD12 HD21 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -66.1 -66.33 0.56 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 49' ' ' LEU . . . -35.95 -35.13 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.486 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.42 -50.77 28.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.751 0.31 . . . . 0.0 111.082 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.506 ' O ' HG22 ' A' ' 56' ' ' VAL . 86.9 mt -55.64 -44.52 77.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.163 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.822 HD23 HD11 ' A' ' 22' ' ' LEU . 15.0 mt -51.69 -37.21 49.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.52 -13.22 49.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -93.48 -22.61 18.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.6 HG21 HG22 ' A' ' 19' ' ' ILE . 19.9 m -122.51 -26.96 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.787 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -124.2 177.34 5.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -128.41 130.97 48.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.806 HD12 ' OH ' ' A' ' 66' ' ' TYR . 2.9 tt -78.7 129.19 34.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 62' ' ' LYS . 3.4 t-20 -106.26 85.6 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 60' ' ' ASN . 35.1 t -34.25 -34.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 60' ' ' ASN . 32.3 tptt -43.27 -64.34 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -116.22 17.33 15.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.812 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.554 HD23 HD21 ' A' ' 59' ' ' LEU . 8.1 mt 48.8 35.0 5.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.8 p -108.47 137.49 46.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.806 ' OH ' HD12 ' A' ' 59' ' ' LEU . 46.7 m-85 -87.96 123.1 32.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.911 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 47.7 p -106.52 124.49 49.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.65 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.65 126.51 25.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.901 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.428 ' HB2' HG23 ' A' ' 72' ' ' VAL . 34.0 mttt -49.82 -179.05 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.497 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 21.6 m-20 -94.88 -42.94 8.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.558 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.7 p90 -64.14 -45.15 89.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.558 HG23 ' CE1' ' A' ' 71' ' ' TYR . 60.0 t -48.27 -38.31 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.497 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 14.5 m-85 -43.58 -37.59 2.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.436 ' NZ ' ' HB2' ' A' ' 71' ' ' TYR . 5.3 ptpp? -69.78 -32.88 71.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 72' ' ' VAL . 30.4 mt-10 -69.35 -30.34 68.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.623 HD12 HD21 ' A' ' 95' ' ' LEU . 93.2 mt -41.31 162.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 80' ' ' TRP . 27.2 mt-30 -119.01 100.26 7.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.933 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.5 mtm-85 -45.82 -22.99 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -96.3 27.22 3.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.568 ' HB3' ' CD2' ' A' ' 83' ' ' TYR . 69.7 t-105 -69.12 115.5 32.51 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.568 0.699 . . . . 0.0 110.91 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -1.24 8.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.732 2.288 . . . . 0.0 112.328 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.462 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -92.72 17.16 58.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.818 ' CE2' HD13 ' A' ' 91' ' ' LEU . 22.0 m-85 -119.91 114.04 21.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.865 0.364 . . . . 0.0 110.939 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 70.0 m -65.75 167.89 8.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -42.88 -25.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 10.5 mm -92.81 -58.18 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -39.85 -54.52 2.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -45.42 -55.09 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -67.94 -21.94 65.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.5 m -82.94 -21.46 34.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.818 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.02 -42.63 9.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.948 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.699 ' N ' HD23 ' A' ' 91' ' ' LEU . 7.1 pt-20 -47.03 -22.76 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 96' ' ' SER . 35.9 t -80.61 -60.15 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.803 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 84.4 t -39.92 -47.44 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.164 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.623 HD21 HD12 ' A' ' 76' ' ' LEU . 30.8 mt -61.11 -35.56 77.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 93' ' ' SER . 12.3 t -71.57 -39.73 70.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.2 mtp85 -68.59 -50.43 51.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -64.01 -67.85 0.4 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.1 mt -60.02 94.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.5 p30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.88 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.82 0.343 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -54.02 -32.61 54.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 46.1 mmt-85 -71.74 152.09 93.39 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.574 0.702 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.41 ' HG2' ' CG ' ' A' ' 16' ' ' ASP . 53.3 Cg_endo -69.75 142.11 47.11 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.729 2.286 . . . . 0.0 112.327 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.459 ' O ' ' C ' ' A' ' 15' ' ' ARG . 5.9 t80 -47.53 -64.75 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 14' ' ' TYR . 14.0 ttm180 -33.58 -50.01 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.41 ' CG ' ' HG2' ' A' ' 13' ' ' PRO . 59.8 m-20 -58.48 -59.44 5.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -49.59 -28.86 6.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.599 HG13 HD11 ' A' ' 32' ' ' LEU . 48.2 t -76.31 -62.13 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.486 HG13 ' N ' ' A' ' 20' ' ' HIS . 19.9 pt -53.96 -45.67 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.559 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 23.4 m80 -52.88 -28.55 23.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.2 mt -86.05 -42.85 13.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.948 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.797 HD13 ' HB2' ' A' ' 57' ' ' ALA . 62.1 mt -64.87 -32.15 73.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.976 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.53 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -51.35 -69.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.099 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.545 HD11 ' HB3' ' A' ' 87' ' ' ASP . 18.9 mt -37.7 -43.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.8 pttt -170.1 167.71 8.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.459 ' HB2' HG22 ' A' ' 67' ' ' THR . . . -69.34 135.82 50.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.605 ' HB2' HD23 ' A' ' 22' ' ' LEU . 12.4 m-85 -124.81 153.13 42.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 29' ' ' LYS . 1.1 mptt -95.38 150.3 20.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.59 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -36.96 -54.97 1.7 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.625 0.726 . . . . 0.0 110.897 179.892 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.59 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.5 Cg_endo -69.84 -50.57 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.693 2.262 . . . . 0.0 112.326 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 32' ' ' LEU . 19.9 tt0 -53.74 -65.01 0.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.908 HD12 HD21 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -36.9 -47.3 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 36' ' ' LEU . 12.6 mt -55.03 -57.61 11.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -34.58 -39.35 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.081 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -71.23 -44.94 64.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 33' ' ' LEU . 11.2 mt -73.52 -57.31 4.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.49 -30.14 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.8 mttt -56.21 -55.31 34.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -75.35 -26.47 58.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.61 119.94 2.09 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.1 t -122.78 139.2 50.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.828 0.347 . . . . 0.0 111.111 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -87.63 125.09 34.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -46.57 -43.22 17.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -61.3 -28.53 69.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -84.09 -30.25 26.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.817 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.7 mtmt -50.76 -33.23 22.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -76.77 -35.73 57.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 99.2 p -73.05 -31.88 64.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.552 HD13 ' CE ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -44.96 -58.69 2.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.12 -37.89 38.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.47 -41.78 68.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.747 0.308 . . . . 0.0 111.086 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' GLN . 49.5 mt -63.56 -47.55 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.908 HD21 HD12 ' A' ' 32' ' ' LEU . 18.8 mt -45.32 -37.59 4.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -85.81 -19.41 30.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 52' ' ' ILE . 15.2 mm100 -84.91 -24.03 28.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 52' ' ' ILE . 32.5 m -123.36 -23.37 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.13 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.797 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -123.36 177.1 5.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -131.54 127.12 36.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.825 HD23 ' N ' ' A' ' 60' ' ' ASN . 2.6 tt -81.39 132.75 35.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.825 ' N ' HD23 ' A' ' 59' ' ' LEU . 4.8 t-20 -109.3 94.27 4.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 60' ' ' ASN . 58.4 m -35.6 -35.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 60' ' ' ASN . 26.0 tttt -41.67 -68.65 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -111.99 8.4 20.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.68 ' HA ' HD21 ' A' ' 59' ' ' LEU . 26.9 mt 57.44 27.56 14.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 96.6 p -97.45 139.75 32.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.56 ' OH ' HD12 ' A' ' 59' ' ' LEU . 67.7 m-85 -91.78 117.04 29.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.459 HG22 ' HB2' ' A' ' 26' ' ' ALA . 42.2 p -102.73 125.02 49.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.14 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.53 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -54.77 130.53 41.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.43 ' HB2' HG23 ' A' ' 72' ' ' VAL . 28.2 mttm -52.56 -175.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.476 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 63.9 m-20 -97.36 -44.45 6.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.528 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.9 p90 -64.9 -43.4 93.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.528 HG23 ' CE1' ' A' ' 71' ' ' TYR . 58.0 t -49.08 -33.48 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.122 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.517 ' CE1' HD13 ' A' ' 68' ' ' LEU . 16.1 m-85 -49.4 -31.59 9.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -74.9 -28.03 60.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -74.55 -28.58 61.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.449 HD12 HD21 ' A' ' 95' ' ' LEU . 76.2 mt -46.65 173.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.952 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' A' ' 80' ' ' TRP . 49.8 mt-30 -129.9 103.58 6.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -48.04 -25.53 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -91.47 25.63 2.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.559 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 70.5 t-105 -67.77 117.57 49.37 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.54 0.686 . . . . 0.0 110.886 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -11.64 31.24 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.96 -4.42 82.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.516 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.916 ' CE2' HD13 ' A' ' 91' ' ' LEU . 23.9 m-85 -103.09 114.04 28.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 110.97 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.9 m -71.74 -177.09 1.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -50.92 -22.82 2.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.673 ' N ' HD12 ' A' ' 86' ' ' ILE . 2.9 mp -95.23 -64.13 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.545 ' HB3' HD11 ' A' ' 24' ' ' LEU . 9.0 m-20 -34.57 -55.84 0.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.409 ' HB3' ' NH1' ' A' ' 88' ' ' ARG . 9.3 mtp-105 -44.68 -57.16 3.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -65.52 -21.15 66.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 m -83.55 -22.95 32.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.916 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.01 -45.63 8.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.925 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.787 ' N ' HD23 ' A' ' 91' ' ' LEU . 17.8 pt-20 -41.95 -34.75 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.83 -52.66 16.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.8 t -46.07 -57.45 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.093 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.487 ' HB3' HD12 ' A' ' 99' ' ' LEU . 31.4 mt -56.24 -31.34 63.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 44.0 t -72.49 -42.58 64.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -72.76 -28.4 62.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.808 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -85.75 -62.69 1.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.487 HD12 ' HB3' ' A' ' 95' ' ' LEU . 8.6 mt -71.04 96.51 1.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.8 m120 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.893 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.8 t . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.838 0.352 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -45.67 -36.64 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.8 mmt-85 -68.2 152.34 96.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.716 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.423 ' HG2' ' CG ' ' A' ' 16' ' ' ASP . 54.2 Cg_endo -69.75 149.33 66.83 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.388 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.443 ' O ' ' C ' ' A' ' 15' ' ' ARG . 4.4 t80 -52.47 -64.64 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 14' ' ' TYR . 7.5 ttp180 -33.85 -57.68 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.423 ' CG ' ' HG2' ' A' ' 13' ' ' PRO . 6.4 m-20 -46.33 -63.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 -49.13 -35.29 16.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.484 HG13 HD11 ' A' ' 32' ' ' LEU . 86.0 t -69.86 -63.16 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.523 HG22 ' HB ' ' A' ' 56' ' ' VAL . 50.6 pt -52.69 -37.53 25.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.522 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 15.0 m80 -60.75 -40.92 94.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.7 mt -72.04 -43.9 64.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.728 HD11 HD23 ' A' ' 53' ' ' LEU . 85.9 mt -67.12 -28.66 68.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.768 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -51.07 -70.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.06 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 24' ' ' LEU . 11.8 mt -41.01 -49.91 3.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.417 ' HE2' ' CE1' ' A' ' 27' ' ' TYR . 21.7 pttt -158.77 171.37 20.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.75 138.46 42.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.659 ' HB2' HD23 ' A' ' 22' ' ' LEU . 13.2 m-85 -127.1 151.98 47.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 29' ' ' LYS . 19.0 mttt -93.25 148.75 21.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.598 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 3.3 tptm -35.51 -54.48 1.22 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.539 0.685 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.4 Cg_endo -69.75 -50.93 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.341 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 32' ' ' LEU . 10.8 tp10 -55.14 -63.68 1.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.766 HD12 HD21 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -38.37 -45.16 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.538 HD21 HD12 ' A' ' 49' ' ' LEU . 12.3 mt -57.01 -59.9 4.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -33.02 -42.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 72.7 mmt-85 -66.99 -47.72 70.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 33' ' ' LEU . 70.2 mt -71.89 -56.82 5.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.02 -37.82 1.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -48.84 -57.46 6.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.45 -20.77 58.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.1 126.33 2.87 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.456 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.2 t -130.84 126.83 60.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.362 . . . . 0.0 111.106 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' A' ' 43' ' ' GLN . 39.8 t-20 -70.46 146.24 50.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.403 ' N ' ' OD1' ' A' ' 42' ' ' ASN . 19.9 tt0 -62.17 -51.32 68.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.27 -18.32 6.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.868 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.49 -32.99 13.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.4 mttt -48.74 -36.41 16.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -87.46 -37.32 17.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.4 p -69.49 -8.54 47.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.538 HD12 HD21 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -64.64 -61.64 2.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -43.74 -35.41 3.14 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.546 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.15 -52.23 25.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.744 0.306 . . . . 0.0 111.095 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.518 ' O ' HG22 ' A' ' 56' ' ' VAL . 47.4 mt -56.73 -45.7 82.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.766 HD21 HD12 ' A' ' 32' ' ' LEU . 24.1 mt -46.79 -34.62 5.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -88.74 -19.86 25.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.445 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 34.4 mt-30 -84.1 -22.58 31.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.523 ' HB ' HG22 ' A' ' 19' ' ' ILE . 26.8 m -125.99 -22.01 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.081 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.675 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -128.09 176.71 7.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -133.47 129.74 37.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.895 HD12 ' CZ ' ' A' ' 66' ' ' TYR . 4.2 tt -78.55 131.18 36.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.579 ' N ' HD23 ' A' ' 59' ' ' LEU . 9.5 t-20 -105.57 93.34 4.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.2 m -38.77 -27.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 60' ' ' ASN . 7.9 tptm -53.56 -65.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -110.54 18.85 19.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.8 mt 44.93 25.04 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.0 p -102.78 140.66 36.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.895 ' CZ ' HD12 ' A' ' 59' ' ' LEU . 62.3 m-85 -87.46 122.56 31.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 36.3 p -104.43 124.98 50.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.156 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.768 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.17 131.09 44.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.464 ' HD3' ' CE2' ' A' ' 71' ' ' TYR . 30.0 mttm -55.23 -175.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.498 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 7.3 t70 -91.97 -66.72 0.9 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.572 ' CD1' ' N ' ' A' ' 72' ' ' VAL . 43.9 p90 -46.68 -48.68 20.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.572 ' N ' ' CD1' ' A' ' 71' ' ' TYR . 61.5 t -42.21 -27.87 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.171 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.498 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 19.5 m-85 -55.89 -42.87 76.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 71' ' ' TYR . 4.9 ptpt -72.97 -2.46 21.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -99.2 -19.29 17.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.484 HD12 HD21 ' A' ' 95' ' ' LEU . 19.1 mt -61.11 -175.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 80' ' ' TRP . 20.1 mm-40 -137.73 120.64 16.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.36 -37.27 86.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -82.26 17.94 1.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.577 ' CE3' ' HD2' ' A' ' 81' ' ' PRO . 74.0 t-105 -57.77 127.35 78.54 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.586 0.707 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.577 ' HD2' ' CE3' ' A' ' 80' ' ' TRP . 53.7 Cg_endo -69.84 3.57 2.74 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.697 2.265 . . . . 0.0 112.323 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.466 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -98.5 -0.83 57.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.526 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.897 ' CE2' HD13 ' A' ' 91' ' ' LEU . 23.4 m-85 -113.51 118.54 34.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.869 0.366 . . . . 0.0 110.961 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.7 m -72.1 -178.64 2.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.836 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -48.82 -24.6 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.455 ' O ' ' C ' ' A' ' 87' ' ' ASP . 5.4 mp -95.34 -64.49 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 86' ' ' ILE . 83.8 m-20 -33.89 -53.81 0.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.461 ' N ' ' HB3' ' A' ' 83' ' ' TYR . 60.6 mtp180 -45.32 -49.88 12.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -75.92 -19.4 58.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.864 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.7 t -83.53 -23.17 32.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.897 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -88.04 -52.59 5.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.887 ' N ' HD23 ' A' ' 91' ' ' LEU . 7.8 pt-20 -43.11 -23.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 91' ' ' LEU . 22.9 t -68.7 -54.96 13.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 92.0 t -54.25 -53.66 27.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.484 HD21 HD12 ' A' ' 76' ' ' LEU . 30.6 mt -51.93 -34.89 43.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 34.8 t -70.62 -52.19 23.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 -60.35 -53.17 60.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -56.19 -60.47 3.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 46.1 mt -62.21 97.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 15.2 p30 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.947 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.841 0.353 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -42.11 -33.81 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -69.12 151.69 97.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.585 0.707 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 139.12 39.41 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.245 . . . . 0.0 112.37 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.452 ' O ' ' C ' ' A' ' 15' ' ' ARG . 3.7 t80 -44.58 -61.33 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.488 ' HA ' HG21 ' A' ' 52' ' ' ILE . 11.5 ttm105 -33.68 -64.52 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -49.4 -53.05 24.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -51.56 -30.9 22.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.416 HG13 HD11 ' A' ' 32' ' ' LEU . 90.1 t -78.61 -65.7 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.524 HG22 HG21 ' A' ' 56' ' ' VAL . 8.2 pt -48.41 -46.46 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.742 ' CD2' ' CG ' ' A' ' 80' ' ' TRP . 12.8 m80 -51.45 -27.17 9.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.83 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.8 mt -87.25 -48.59 7.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.718 HD13 ' HB2' ' A' ' 57' ' ' ALA . 23.5 mt -60.84 -30.68 70.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.7 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -48.94 -64.44 0.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.6 mt -43.31 -52.71 5.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 22' ' ' LEU . 37.3 pttt -157.24 171.72 19.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.54 136.78 47.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.597 ' HB2' HD23 ' A' ' 22' ' ' LEU . 14.6 m-85 -127.79 150.34 49.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -94.18 162.8 13.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.71 ' CE ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -46.72 -54.57 18.6 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.621 0.724 . . . . 0.0 110.903 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.7 Cg_endo -69.76 -50.76 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.653 2.235 . . . . 0.0 112.374 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -55.7 -63.21 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.807 HD12 HD21 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -40.61 -43.55 1.93 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 36' ' ' LEU . 10.0 mt -56.4 -63.16 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -31.87 -52.91 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.498 ' HA ' ' CE ' ' A' ' 38' ' ' LYS . 9.2 mmm180 -52.97 -46.8 68.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 33' ' ' LEU . 24.3 mt -73.69 -55.09 6.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.474 ' NE2' ' HB ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -49.43 -29.15 6.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.498 ' CE ' ' HA ' ' A' ' 35' ' ' ARG . 19.6 mtmt -53.49 -34.77 59.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.39 -6.26 23.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.29 120.77 3.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.487 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.474 ' HB ' ' NE2' ' A' ' 37' ' ' GLN . 19.3 t -126.35 120.63 57.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 0.0 111.117 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -69.32 146.88 51.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -60.88 -46.49 90.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -51.4 -44.07 62.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -80.11 -22.57 42.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.9 ttpp -56.92 -52.59 64.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -66.04 -37.41 85.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 60.0 m -64.05 -28.18 69.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.71 HD13 ' CE ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -44.66 -61.42 1.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.05 -33.34 6.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.493 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.8 -41.38 60.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.322 . . . . 0.0 111.073 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.604 ' O ' HG22 ' A' ' 56' ' ' VAL . 84.7 mt -67.48 -41.55 86.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.807 HD21 HD12 ' A' ' 32' ' ' LEU . 12.7 mt -52.0 -35.07 45.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -89.41 -15.37 33.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -90.84 -24.22 20.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 52' ' ' ILE . 21.3 m -119.94 -28.97 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.718 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -122.29 177.17 5.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.099 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -129.16 129.8 45.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.709 HD23 ' N ' ' A' ' 60' ' ' ASN . 1.5 tt -79.05 133.87 36.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.709 ' N ' HD23 ' A' ' 59' ' ' LEU . 3.7 t-20 -113.45 102.22 10.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.0 m -46.04 -29.69 1.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -46.98 -66.6 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -118.37 22.25 12.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.8 mt 45.39 31.44 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.6 p -102.92 136.28 43.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.519 ' CZ ' ' HG ' ' A' ' 59' ' ' LEU . 80.5 m-85 -89.32 120.32 30.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.933 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.3 p -102.29 124.75 48.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.136 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.7 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -54.85 127.86 30.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -51.58 -174.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.54 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 9.5 p-10 -95.87 -60.41 1.65 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.899 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.493 ' CG ' ' N ' ' A' ' 72' ' ' VAL . 1.8 p90 -50.43 -44.29 55.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.581 HG11 HD21 ' A' ' 68' ' ' LEU . 97.1 t -46.31 -37.47 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.54 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 25.8 m-85 -46.88 -33.94 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -70.99 -31.65 68.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -68.92 -36.94 78.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.458 HD12 HD21 ' A' ' 95' ' ' LEU . 81.3 mt -40.99 151.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 80' ' ' TRP . 36.6 mt-30 -111.38 105.53 14.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -45.82 -24.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -94.51 27.26 3.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.742 ' CG ' ' CD2' ' A' ' 20' ' ' HIS . 68.2 t-105 -68.24 113.38 14.87 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.547 0.689 . . . . 0.0 110.953 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 1.88 4.04 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.653 2.236 . . . . 0.0 112.38 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.451 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -96.75 22.13 42.11 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.803 ' CE2' HD13 ' A' ' 91' ' ' LEU . 15.5 m-85 -121.65 120.47 34.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.871 0.367 . . . . 0.0 110.946 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 86' ' ' ILE . 59.3 m -66.04 161.38 21.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -39.92 -29.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.441 ' N ' HD12 ' A' ' 86' ' ' ILE . 4.6 mp -91.88 -52.78 9.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.4 ' HB2' ' N ' ' A' ' 84' ' ' SER . 64.7 m-20 -41.02 -56.75 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -43.71 -57.5 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -65.29 -22.15 66.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 m -83.54 -16.54 45.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.813 HD23 ' N ' ' A' ' 92' ' ' GLU . 0.1 OUTLIER -91.98 -48.17 6.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.813 ' N ' HD23 ' A' ' 91' ' ' LEU . 9.9 pt-20 -43.28 -23.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 91' ' ' LEU . 29.1 t -75.36 -58.61 3.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 70.9 t -44.16 -51.5 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.074 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.521 ' HB3' HD12 ' A' ' 99' ' ' LEU . 21.1 mt -60.21 -29.48 68.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.3 t -73.49 -37.91 65.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 97' ' ' ARG . 5.3 mtp-105 -77.24 -44.25 30.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -70.96 -65.62 0.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.521 HD12 ' HB3' ' A' ' 95' ' ' LEU . 11.3 mt -71.44 93.94 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.905 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.2 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.784 0.326 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -63.89 -34.11 77.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.6 mmp_? -69.6 153.52 95.62 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.626 0.727 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.402 ' C ' ' HE ' ' A' ' 17' ' ' ARG . 54.1 Cg_endo -69.76 147.91 63.92 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.688 ' N ' HH21 ' A' ' 17' ' ' ARG . 3.2 t80 -52.93 -59.17 4.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 14' ' ' TYR . 12.7 ttp180 -36.74 -64.5 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.01 -54.85 7.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.688 HH21 ' N ' ' A' ' 14' ' ' TYR . 53.3 mtm180 -47.62 -42.34 23.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.932 HG13 HD11 ' A' ' 32' ' ' LEU . 97.5 t -67.94 -65.68 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.656 HG22 HG21 ' A' ' 56' ' ' VAL . 6.6 pt -50.98 -28.75 6.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.082 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.583 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 7.0 m80 -72.26 -27.15 62.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 45.7 mt -89.53 -41.63 11.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.83 HD11 HD23 ' A' ' 53' ' ' LEU . 75.0 mt -66.1 -29.51 69.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.669 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -52.31 -62.57 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.094 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 86.9 mt -45.36 -51.67 10.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.941 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -158.8 174.74 14.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.44 133.53 42.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.113 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.605 ' HB2' HD23 ' A' ' 22' ' ' LEU . 10.3 m-85 -124.69 143.16 50.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.017 0.437 . . . . 0.0 110.901 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 29' ' ' LYS . 8.7 mptt -86.23 149.09 25.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.609 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.7 tptm -36.25 -54.15 1.55 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.596 0.713 . . . . 0.0 110.866 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.609 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.1 Cg_endo -69.78 -46.98 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.704 2.269 . . . . 0.0 112.33 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -57.28 -63.18 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.932 HD11 HG13 ' A' ' 18' ' ' VAL . 0.6 OUTLIER -39.71 -41.35 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 35' ' ' ARG . 10.0 mt -59.95 -56.17 24.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.464 ' O ' ' CD ' ' A' ' 38' ' ' LYS . . . -35.77 -30.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 33' ' ' LEU . 37.7 mmt-85 -78.56 -47.63 16.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.817 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.548 ' C ' HG23 ' A' ' 41' ' ' VAL . 6.9 mt -72.11 -51.52 21.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.495 ' N ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -47.43 -32.86 5.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.464 ' CD ' ' O ' ' A' ' 34' ' ' ALA . 21.0 mtpt -57.75 -55.43 35.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.57 -30.77 66.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.42 102.41 0.84 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.548 HG23 ' C ' ' A' ' 36' ' ' LEU . 18.6 t -101.04 126.9 54.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.857 0.361 . . . . 0.0 111.159 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -71.11 126.76 30.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -39.15 -38.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.422 ' CE ' ' O ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -61.33 -55.27 33.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.564 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 4.1 m-20 -56.3 -42.24 77.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.465 ' HG2' ' CG1' ' A' ' 41' ' ' VAL . 54.7 mttt -38.8 -26.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 45' ' ' ASP . 50.5 m-20 -99.26 -38.4 8.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 m -61.67 -38.23 86.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.641 HD22 ' CD1' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -37.32 -67.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -39.88 -33.79 0.46 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.514 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.22 -39.55 32.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.739 0.304 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.62 ' O ' HG22 ' A' ' 56' ' ' VAL . 70.3 mt -66.71 -41.75 88.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.836 HD21 HD12 ' A' ' 32' ' ' LEU . 12.4 mt -53.42 -36.96 62.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -87.49 -11.96 47.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.416 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 18.3 mm-40 -94.8 -21.66 18.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.656 HG21 HG22 ' A' ' 19' ' ' ILE . 23.6 m -125.22 -23.74 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.729 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -125.79 177.37 6.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.067 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -127.8 130.73 49.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.753 HD23 ' N ' ' A' ' 60' ' ' ASN . 2.3 tt -79.96 137.19 36.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.753 ' N ' HD23 ' A' ' 59' ' ' LEU . 12.7 t-20 -115.51 99.44 7.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.8 p -43.83 -32.82 1.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.5 tttt -43.27 -69.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -115.94 23.41 12.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.8 mt 43.8 38.96 2.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 91.9 p -109.09 143.09 38.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.643 ' CG ' HD22 ' A' ' 53' ' ' LEU . 54.5 m-85 -94.09 126.28 39.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.8 p -110.14 124.47 51.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.131 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.669 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -54.99 129.53 38.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.416 ' HE3' ' C ' ' A' ' 55' ' ' GLN . 25.9 mttm -51.48 -175.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.448 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 5.0 t70 -97.66 -40.63 8.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.861 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.573 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.8 p90 -68.9 -46.58 67.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.573 HG23 ' CE1' ' A' ' 71' ' ' TYR . 60.8 t -46.78 -32.55 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.177 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.448 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 12.4 m-85 -47.77 -33.96 7.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -73.85 -30.61 62.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -69.04 -22.97 64.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.418 ' CD2' HG13 ' A' ' 19' ' ' ILE . 47.0 mt -58.22 158.0 7.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -117.1 116.61 27.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.3 mtm-85 -58.36 -14.29 7.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -100.71 19.42 17.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.583 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 73.0 t-105 -61.93 121.27 64.21 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.55 0.691 . . . . 0.0 110.944 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 -2.86 10.87 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.655 2.237 . . . . 0.0 112.323 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.456 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -83.87 -22.58 55.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.926 ' CE2' HD13 ' A' ' 91' ' ' LEU . 21.5 m-85 -89.54 116.13 27.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.836 0.35 . . . . 0.0 110.944 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 86' ' ' ILE . 37.6 m -74.79 173.51 10.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -39.78 -25.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.475 ' N ' ' O ' ' A' ' 84' ' ' SER . 4.8 mp -93.28 -64.14 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 86' ' ' ILE . 2.9 m-20 -33.98 -53.52 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.412 ' N ' ' HB3' ' A' ' 83' ' ' TYR . 67.0 mtp180 -46.36 -53.78 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -70.11 -21.7 63.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 m -83.76 -20.22 33.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.926 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.09 -44.39 8.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.727 ' N ' HD23 ' A' ' 91' ' ' LEU . 15.5 pt-20 -46.02 -24.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.892 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.5 t -74.19 -58.12 3.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 75.7 t -44.87 -50.26 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.094 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.419 ' HB3' HD12 ' A' ' 99' ' ' LEU . 42.6 mt -61.08 -33.36 73.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.4 t -67.46 -35.53 79.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 -81.34 -37.09 28.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -77.65 -69.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.419 HD12 ' HB3' ' A' ' 95' ' ' LEU . 16.5 mt -67.13 101.72 0.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.944 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.2 p . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.842 0.354 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -70.36 -30.03 66.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -71.86 151.09 93.09 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.605 0.717 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' TYR . 53.7 Cg_endo -69.76 134.48 28.09 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.71 2.273 . . . . 0.0 112.344 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.461 ' CE2' ' HG ' ' A' ' 49' ' ' LEU . 3.0 t80 -36.51 -62.6 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 14' ' ' TYR . 18.4 ttm180 -33.48 -72.33 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.478 ' OD1' ' CE1' ' A' ' 20' ' ' HIS . 10.6 t0 -41.1 -54.5 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -52.32 -38.48 58.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.599 HG13 HD11 ' A' ' 32' ' ' LEU . 37.6 t -68.14 -63.06 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.128 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.484 HG13 ' N ' ' A' ' 20' ' ' HIS . 30.5 pt -50.14 -42.57 19.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.137 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.789 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 7.9 m80 -57.63 -24.25 55.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.7 mt -89.86 -42.56 11.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.808 HD11 HD23 ' A' ' 53' ' ' LEU . 65.9 mt -67.0 -34.32 77.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.522 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -45.42 -65.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.0 mt -41.91 -51.1 4.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -161.68 169.02 22.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.559 ' HB2' HG22 ' A' ' 67' ' ' THR . . . -69.33 133.05 47.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.094 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.614 ' HB2' HD23 ' A' ' 22' ' ' LEU . 9.0 m-85 -121.98 155.29 35.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 29' ' ' LYS . 2.4 mptt -97.95 146.33 25.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.926 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.662 ' CE ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -34.63 -54.88 0.94 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.563 0.696 . . . . 0.0 110.848 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.8 Cg_endo -69.72 -50.47 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.718 2.279 . . . . 0.0 112.337 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -54.95 -63.38 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.647 HD12 HD21 ' A' ' 53' ' ' LEU . 1.1 tt -38.75 -43.0 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.537 HD11 ' NZ ' ' A' ' 29' ' ' LYS . 11.9 mt -59.95 -53.66 55.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.22 -22.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 33' ' ' LEU . 16.4 mmt180 -88.29 -33.47 18.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.525 ' C ' HG23 ' A' ' 41' ' ' VAL . 13.2 mt -89.52 -53.75 4.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.627 ' N ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -36.54 -48.75 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.9 ptmt -48.05 -53.43 16.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -67.64 -20.41 65.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.03 94.21 1.46 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.531 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.627 HG23 ' N ' ' A' ' 37' ' ' GLN . 20.0 t -101.09 127.27 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 0.0 111.096 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -72.22 145.73 47.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -62.93 -57.3 11.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -51.8 -22.33 3.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.28 -40.21 12.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.453 ' HG2' ' CG1' ' A' ' 41' ' ' VAL . 32.3 mtmt -38.91 -44.08 1.03 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -76.31 -40.07 52.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.4 m -58.87 -35.5 73.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.662 HD13 ' CE ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -41.49 -59.63 1.54 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -43.79 -41.04 5.59 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.447 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.76 -47.32 66.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.76 0.314 . . . . 0.0 111.101 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.497 ' O ' HG22 ' A' ' 56' ' ' VAL . 57.3 mt -57.93 -46.62 87.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.808 HD23 HD11 ' A' ' 22' ' ' LEU . 20.7 mt -47.31 -35.4 7.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -88.11 -17.91 29.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 52' ' ' ILE . 25.6 mt-30 -88.08 -23.15 23.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 52' ' ' ILE . 30.4 m -124.6 -23.96 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.71 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -124.26 177.23 5.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -129.46 130.04 45.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.63 HD23 ' N ' ' A' ' 60' ' ' ASN . 1.1 tt -78.75 131.59 36.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.63 ' N ' HD23 ' A' ' 59' ' ' LEU . 12.8 t-20 -109.28 106.44 16.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.7 t -49.19 -33.06 11.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.8 tttt -43.87 -68.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -118.31 29.81 7.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.1 mt 38.25 32.82 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.8 p -103.1 139.63 38.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.49 ' CZ ' ' HG ' ' A' ' 59' ' ' LEU . 74.8 m-85 -90.0 127.58 36.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.559 HG22 ' HB2' ' A' ' 26' ' ' ALA . 42.9 p -111.34 125.81 54.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.137 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.522 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.02 130.26 41.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.461 ' HB2' HG23 ' A' ' 72' ' ' VAL . 30.1 mttm -52.09 -175.4 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.534 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 5.2 p-10 -97.47 -43.3 7.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.514 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.8 p90 -66.35 -41.64 89.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.927 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.514 HG23 ' CE1' ' A' ' 71' ' ' TYR . 53.0 t -52.29 -30.69 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.534 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 15.3 m-85 -51.24 -28.83 12.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -78.95 -29.44 44.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -73.47 -24.51 60.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.445 HD12 HD21 ' A' ' 95' ' ' LEU . 68.7 mt -50.27 176.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -132.05 120.53 22.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -65.09 -25.77 67.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -96.19 24.93 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.789 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 73.6 t-105 -62.98 122.32 74.25 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.581 0.705 . . . . 0.0 110.906 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -0.85 7.53 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.699 2.266 . . . . 0.0 112.32 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.431 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -89.77 -9.44 66.23 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.879 ' CE2' HD13 ' A' ' 91' ' ' LEU . 22.4 m-85 -102.74 114.67 29.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 110.91 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 47.2 m -73.96 -176.7 2.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -50.13 -22.74 1.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.654 ' N ' HD12 ' A' ' 86' ' ' ILE . 3.1 mp -96.75 -62.07 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.101 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -36.68 -54.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.419 ' N ' ' HB3' ' A' ' 83' ' ' TYR . 58.7 mtp180 -46.01 -54.47 8.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -69.09 -21.69 64.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.1 m -84.04 -17.6 39.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.879 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.05 -41.15 10.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.653 ' N ' HD23 ' A' ' 91' ' ' LEU . 8.8 pt-20 -49.87 -18.33 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 96' ' ' SER . 23.3 t -77.28 -69.79 0.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.842 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 93' ' ' SER . 50.7 t -35.91 -61.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.114 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.445 HD21 HD12 ' A' ' 76' ' ' LEU . 43.7 mt -47.06 -41.15 16.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 93' ' ' SER . 47.2 t -66.81 -32.71 74.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -81.89 -20.41 38.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.514 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 70.2 mmtt -99.28 -65.69 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 92.2 mt -61.14 96.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.934 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.814 0.34 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -43.44 -39.08 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -68.26 150.92 97.54 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.616 0.722 . . . . 0.0 110.853 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 146.87 61.17 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.671 2.247 . . . . 0.0 112.328 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.454 ' O ' ' C ' ' A' ' 15' ' ' ARG . 6.0 t80 -49.84 -63.56 1.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 14' ' ' TYR . 20.1 ttm180 -33.89 -57.07 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.58 -54.95 18.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.82 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.491 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 44.4 mtp180 -54.42 -31.49 55.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.548 HG13 HD11 ' A' ' 32' ' ' LEU . 87.4 t -71.15 -60.01 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.476 HG13 ' N ' ' A' ' 20' ' ' HIS . 31.1 pt -58.11 -40.86 78.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.62 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 11.5 m80 -57.12 -24.37 53.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.429 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 60.6 mt -90.29 -45.75 8.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.914 HD11 HD23 ' A' ' 53' ' ' LEU . 54.5 mt -62.97 -34.35 77.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.575 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -46.74 -63.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.088 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.412 HD11 ' HB3' ' A' ' 87' ' ' ASP . 33.7 mt -45.02 -49.77 11.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -162.67 172.37 15.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.45 ' HB2' HG22 ' A' ' 67' ' ' THR . . . -70.61 134.0 47.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.566 ' CD2' ' OE2' ' A' ' 31' ' ' GLU . 13.6 m-85 -126.63 140.0 52.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.928 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 29' ' ' LYS . 19.7 mttt -83.92 151.74 24.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.905 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.608 ' CE ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -36.56 -55.52 1.47 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.611 0.719 . . . . 0.0 110.935 179.87 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.4 Cg_endo -69.8 -49.75 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.627 2.218 . . . . 0.0 112.308 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.566 ' OE2' ' CD2' ' A' ' 27' ' ' TYR . 29.0 tt0 -53.4 -63.96 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.98 HD12 HD21 ' A' ' 53' ' ' LEU . 0.9 OUTLIER -37.04 -47.51 0.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.964 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 36' ' ' LEU . 12.0 mt -55.33 -57.91 9.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -33.75 -41.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -68.76 -46.02 69.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 33' ' ' LEU . 9.4 mt -73.91 -58.8 3.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.962 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.31 -34.31 0.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -49.57 -50.68 41.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -81.87 -28.79 32.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 137.86 119.17 1.75 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.457 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.4 t -125.57 126.32 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 111.103 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -70.27 152.66 43.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -68.13 -48.09 66.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -59.57 -23.93 63.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.01 -31.41 18.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.821 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.7 mtmt -47.24 -56.72 6.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -68.04 -40.67 82.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.1 m -59.02 -26.61 64.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.608 HD13 ' CE ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -51.03 -58.76 5.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -41.72 -33.88 1.14 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.487 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.45 -49.59 26.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.71 0.29 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.549 ' O ' HG22 ' A' ' 56' ' ' VAL . 84.9 mt -55.58 -43.01 71.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.98 HD21 HD12 ' A' ' 32' ' ' LEU . 13.4 mt -53.37 -37.88 62.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.39 -11.55 54.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.425 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 28.7 mt-30 -94.75 -23.7 17.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 52' ' ' ILE . 22.9 m -123.67 -23.56 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.747 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -124.22 177.0 6.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.088 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -128.01 131.24 49.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.646 HD23 ' N ' ' A' ' 60' ' ' ASN . 1.3 tt -79.31 134.41 36.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.646 ' N ' HD23 ' A' ' 59' ' ' LEU . 12.2 t-20 -109.67 86.35 2.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 60' ' ' ASN . 70.1 m -36.96 -30.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 60' ' ' ASN . 1.2 tppt? -51.16 -59.66 3.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.942 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -115.51 12.19 16.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.2 mt 52.49 25.07 3.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.3 p -101.95 141.04 35.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.517 ' CZ ' ' HG ' ' A' ' 59' ' ' LEU . 76.3 m-85 -91.78 127.28 37.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.45 HG22 ' HB2' ' A' ' 26' ' ' ALA . 42.4 p -110.38 125.03 52.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.169 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.575 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -53.71 129.48 33.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.425 ' HE3' ' C ' ' A' ' 55' ' ' GLN . 26.1 mttm -51.27 -175.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.424 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 2.3 p-10 -97.49 -41.1 8.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.554 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.8 p90 -68.18 -45.63 72.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.554 HG23 ' CE1' ' A' ' 71' ' ' TYR . 59.8 t -47.29 -32.36 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.553 ' CE2' ' HG3' ' A' ' 98' ' ' LYS . 13.6 m-85 -49.7 -33.78 16.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -72.89 -29.34 63.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -74.02 -28.79 61.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.1 mt -46.33 167.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -120.86 115.98 24.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -58.82 -28.85 66.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -95.87 33.46 1.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.62 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 72.2 t-105 -73.14 122.7 88.32 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.581 0.705 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -5.64 16.72 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.258 . . . . 0.0 112.356 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.455 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -82.58 -19.46 63.88 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.458 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.845 ' CE2' HD13 ' A' ' 91' ' ' LEU . 25.1 m-85 -89.3 114.26 25.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.886 0.374 . . . . 0.0 110.925 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.5 m -74.21 179.06 4.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -47.87 -19.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 87' ' ' ASP . 6.2 mm -96.67 -67.01 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 87' ' ' ASP . 1.0 OUTLIER -34.13 -56.24 0.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.847 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -44.13 -54.08 5.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -69.79 -19.81 63.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.6 m -88.54 -19.68 26.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.874 HD23 ' N ' ' A' ' 92' ' ' GLU . 0.1 OUTLIER -92.16 -51.02 5.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.874 ' N ' HD23 ' A' ' 91' ' ' LEU . 0.6 OUTLIER -33.3 -45.14 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 96' ' ' SER . 11.4 t -65.41 -61.82 1.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 93' ' ' SER . 52.9 t -34.3 -60.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 83.6 mt -46.22 -41.59 13.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 93' ' ' SER . 22.0 t -72.66 -49.07 34.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.46 ' CZ ' ' HA ' ' A' ' 97' ' ' ARG . 1.7 mmp_? -54.77 -33.19 60.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.845 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.553 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 61.6 mmtt -87.17 -60.02 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 20.3 mt -63.15 94.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.906 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.1 p . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.808 0.337 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -43.5 -31.55 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.3 mmt-85 -73.0 149.82 89.98 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.576 0.703 . . . . 0.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 149.56 66.86 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.674 2.249 . . . . 0.0 112.307 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.458 ' O ' ' C ' ' A' ' 15' ' ' ARG . 6.1 t80 -52.25 -64.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 14' ' ' TYR . 7.5 ttp180 -33.93 -47.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.44 -58.62 7.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.432 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 22.8 mtp180 -53.1 -29.15 29.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.69 HG13 HD11 ' A' ' 32' ' ' LEU . 70.4 t -76.44 -59.68 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.564 HG22 HG21 ' A' ' 56' ' ' VAL . 26.8 pt -55.98 -41.69 68.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.664 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 21.0 m80 -57.29 -30.87 65.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.5 mt -84.72 -39.93 17.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.884 HD11 HD23 ' A' ' 53' ' ' LEU . 61.5 mt -67.54 -28.29 67.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.944 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.725 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -52.58 -71.64 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 23' ' ' ALA . 95.7 mt -37.6 -44.55 0.7 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.8 pttt -168.14 167.85 12.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.764 ' HB2' HG22 ' A' ' 67' ' ' THR . . . -70.59 137.97 50.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.483 ' HB2' HD23 ' A' ' 22' ' ' LEU . 12.9 m-85 -126.19 152.75 45.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 29' ' ' LYS . 6.7 mptt -92.95 148.53 21.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.595 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -35.99 -54.77 1.38 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.548 0.69 . . . . 0.0 110.867 179.878 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.8 Cg_endo -69.78 -50.25 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.674 2.249 . . . . 0.0 112.347 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 32' ' ' LEU . 31.7 tt0 -55.14 -63.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.022 HD12 HD21 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -37.27 -44.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.59 HD11 ' HZ1' ' A' ' 29' ' ' LYS . 11.8 mt -58.34 -58.41 8.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -35.56 -31.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.072 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 33' ' ' LEU . 23.7 mmt-85 -78.92 -45.48 20.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 33' ' ' LEU . 10.5 mt -75.04 -53.18 9.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.469 ' OE1' ' CE ' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -44.27 -30.95 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.896 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -53.93 -54.8 33.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.18 -24.79 47.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.65 118.37 1.89 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.411 HG23 ' C ' ' A' ' 36' ' ' LEU . 21.7 t -127.7 120.05 53.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.89 0.376 . . . . 0.0 111.136 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -65.95 154.01 40.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -67.9 -46.9 70.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -56.35 -23.02 34.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.63 -35.81 17.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.469 ' CE ' ' OE1' ' A' ' 37' ' ' GLN . 19.8 mttm -48.47 -34.78 11.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -86.47 -37.5 18.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.6 p -73.56 -7.75 53.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.591 HD13 ' CE ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -67.79 -47.62 68.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -57.06 -33.92 65.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.99 -42.25 66.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.769 0.319 . . . . 0.0 111.106 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 55' ' ' GLN . 58.7 mt -64.81 -47.86 86.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.022 HD21 HD12 ' A' ' 32' ' ' LEU . 19.2 mt -46.65 -33.18 4.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -89.35 -19.44 25.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 52' ' ' ILE . 46.7 mm-40 -85.94 -23.86 26.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.564 HG21 HG22 ' A' ' 19' ' ' ILE . 22.8 m -121.47 -25.69 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.751 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -122.76 177.22 5.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -127.49 131.86 50.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.637 HD23 ' N ' ' A' ' 60' ' ' ASN . 2.4 tt -79.47 133.18 36.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.637 ' N ' HD23 ' A' ' 59' ' ' LEU . 12.0 t-20 -109.09 89.81 3.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 60' ' ' ASN . 50.8 m -36.95 -30.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 60' ' ' ASN . 30.1 tptt -46.91 -66.29 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -116.67 18.49 14.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.0 mt 50.33 33.57 7.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 91.6 p -103.48 142.79 33.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.454 ' OH ' HD12 ' A' ' 59' ' ' LEU . 68.8 m-85 -95.18 119.4 33.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.935 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.764 HG22 ' HB2' ' A' ' 26' ' ' ALA . 64.8 p -103.12 124.74 49.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.725 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -54.72 128.89 34.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.486 ' HB2' HG23 ' A' ' 72' ' ' VAL . 30.5 mttm -52.09 -178.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.546 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 1.1 p30 -97.63 -36.94 10.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.501 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.5 p90 -70.44 -40.34 73.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.501 HG23 ' CE1' ' A' ' 71' ' ' TYR . 47.9 t -54.7 -29.95 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.118 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.546 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 13.9 m-85 -50.12 -30.4 11.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.6 ptmm? -74.81 -33.92 62.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -67.12 -37.38 83.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 74.8 mt -40.49 161.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 80' ' ' TRP . 52.4 mt-30 -120.09 104.47 10.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.6 mtm-85 -47.62 -27.24 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -92.25 27.54 2.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.664 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 75.5 t-105 -68.71 111.94 9.8 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.596 0.712 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 1.37 4.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.385 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.445 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -94.33 21.26 43.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.614 ' CE2' HD13 ' A' ' 91' ' ' LEU . 21.6 m-85 -123.21 115.79 22.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.883 0.373 . . . . 0.0 110.909 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.465 ' N ' ' HB2' ' A' ' 87' ' ' ASP . 62.8 m -64.32 168.1 6.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.442 ' HG2' HD13 ' A' ' 86' ' ' ILE . 11.8 tt0 -35.86 -33.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.482 ' O ' ' C ' ' A' ' 87' ' ' ASP . 6.4 mm -90.18 -60.94 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.493 ' HB2' ' CA ' ' A' ' 83' ' ' TYR . 10.8 m-20 -31.03 -47.73 0.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.448 ' N ' ' HB3' ' A' ' 83' ' ' TYR . 41.9 mtp180 -61.83 -68.27 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -55.8 -13.58 1.84 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.41 -21.66 21.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.723 HD23 ' N ' ' A' ' 92' ' ' GLU . 0.1 OUTLIER -92.05 -42.7 9.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.723 ' N ' HD23 ' A' ' 91' ' ' LEU . 14.5 pt-20 -42.59 -27.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.1 t -74.16 -57.32 4.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.1 t -43.0 -60.36 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.434 ' HB3' HD12 ' A' ' 99' ' ' LEU . 48.3 mt -51.81 -38.1 54.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.958 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.6 t -67.97 -34.25 76.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 -75.85 -52.37 10.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -64.78 -65.61 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.434 HD12 ' HB3' ' A' ' 95' ' ' LEU . 13.5 mt -65.53 92.41 0.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.9 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.4 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.848 0.356 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -50.14 -34.34 21.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -71.36 152.26 94.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.611 0.72 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 142.78 49.05 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.715 2.277 . . . . 0.0 112.354 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.597 ' CE2' ' O ' ' A' ' 45' ' ' ASP . 6.5 t80 -47.0 -63.43 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 14' ' ' TYR . 8.2 ttp180 -32.98 -57.93 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.32 -51.46 54.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.413 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 49.0 mtp180 -57.13 -31.94 65.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.617 HG13 HD11 ' A' ' 32' ' ' LEU . 76.1 t -73.4 -59.08 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.473 HG13 ' N ' ' A' ' 20' ' ' HIS . 16.4 pt -57.61 -46.25 86.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.59 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 15.3 m80 -52.79 -23.97 7.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.5 mt -90.35 -49.34 6.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.947 HD11 HD23 ' A' ' 53' ' ' LEU . 67.9 mt -61.38 -28.88 69.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.612 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -51.75 -67.75 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.3 mt -42.34 -46.83 4.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HE2' ' CZ ' ' A' ' 27' ' ' TYR . 39.0 pttt -162.6 166.83 24.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.7 137.19 51.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.058 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.704 ' HB2' HD23 ' A' ' 22' ' ' LEU . 16.1 m-85 -128.25 144.29 51.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 29' ' ' LYS . 22.0 mttt -88.71 150.19 23.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.604 ' CE ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -35.57 -54.51 1.25 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.575 0.702 . . . . 0.0 110.882 179.796 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.5 Cg_endo -69.75 -49.8 0.53 Allowed 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.736 2.291 . . . . 0.0 112.373 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -55.76 -63.58 1.13 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.981 HD12 HD21 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -38.58 -42.17 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.535 HD11 ' NZ ' ' A' ' 29' ' ' LYS . 13.2 mt -61.08 -53.75 53.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.1 -21.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.41 ' N ' ' C ' ' A' ' 33' ' ' LEU . 13.4 mmm180 -89.17 -32.39 17.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 33' ' ' LEU . 17.2 mt -90.7 -53.89 4.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.493 ' N ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -36.47 -46.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -51.02 -54.51 23.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -69.55 -19.49 63.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.13 110.4 1.9 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.493 HG23 ' N ' ' A' ' 37' ' ' GLN . 13.2 t -120.44 114.55 44.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 111.136 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.486 HD22 ' N ' ' A' ' 43' ' ' GLN . 0.1 OUTLIER -76.39 133.02 40.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.486 ' N ' HD22 ' A' ' 42' ' ' ASN . 10.0 tt0 -39.65 -55.45 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.438 ' HG2' ' ND2' ' A' ' 42' ' ' ASN . 11.6 ptpt -52.0 -42.33 62.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.597 ' O ' ' CE2' ' A' ' 14' ' ' TYR . 69.6 m-20 -79.67 -16.35 55.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.82 -45.32 24.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -70.58 -38.97 74.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.8 m -68.24 -26.78 65.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.604 HD13 ' CE ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -40.89 -58.06 1.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -48.41 -35.96 16.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.36 -40.74 70.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 111.109 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.444 ' O ' HG22 ' A' ' 56' ' ' VAL . 67.5 mt -66.32 -45.62 89.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.981 HD21 HD12 ' A' ' 32' ' ' LEU . 14.3 mt -48.58 -36.53 15.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -86.06 -18.14 33.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -88.51 -22.97 23.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 52' ' ' ILE . 17.5 m -124.36 -22.54 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.668 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -124.53 177.36 5.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -130.78 129.24 42.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.812 HD12 ' OH ' ' A' ' 66' ' ' TYR . 2.3 tt -78.57 133.55 37.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.576 ' N ' HD23 ' A' ' 59' ' ' LEU . 10.7 t-20 -112.83 92.6 4.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 60' ' ' ASN . 67.0 m -36.83 -32.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 60' ' ' ASN . 23.5 tptt -41.89 -69.75 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -113.54 15.85 18.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.847 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.425 HD23 HD21 ' A' ' 59' ' ' LEU . 10.9 mt 51.19 38.47 21.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.6 p -111.93 137.64 49.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.829 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.812 ' OH ' HD12 ' A' ' 59' ' ' LEU . 52.8 m-85 -87.73 119.9 28.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.0 p -101.93 125.39 48.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.118 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.612 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -56.81 128.54 37.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -51.03 -178.44 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.553 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 5.0 p-10 -97.34 -39.75 9.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.663 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.6 p90 -67.48 -42.21 83.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.663 HG23 ' CE1' ' A' ' 71' ' ' TYR . 69.3 t -51.42 -32.29 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.553 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 17.0 m-85 -49.31 -32.19 10.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.2 pttt -74.19 -28.03 61.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -75.98 -24.91 55.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.558 HD12 HD21 ' A' ' 95' ' ' LEU . 70.5 mt -47.5 172.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' A' ' 80' ' ' TRP . 21.3 mm-40 -123.6 94.8 4.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -42.04 -24.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 77' ' ' GLN . 2.5 m-20 -103.11 35.53 2.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.59 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 72.7 t-105 -69.61 127.45 92.67 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.524 0.678 . . . . 0.0 110.946 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.558 ' HD2' ' CE3' ' A' ' 80' ' ' TRP . 54.5 Cg_endo -69.72 -5.05 15.24 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.692 2.261 . . . . 0.0 112.399 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.44 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -84.78 -16.46 65.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.502 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.899 ' CE2' HD13 ' A' ' 91' ' ' LEU . 17.8 m-85 -95.2 119.91 34.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.93 0.395 . . . . 0.0 110.903 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.1 m -81.4 -178.75 7.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -46.34 -24.74 0.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.453 ' O ' ' C ' ' A' ' 87' ' ' ASP . 5.3 mm -94.72 -65.08 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.152 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 86' ' ' ILE . 2.9 m-20 -34.3 -57.02 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -43.39 -54.84 4.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -69.83 -19.51 63.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.4 m -87.83 -18.12 30.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.899 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -91.89 -40.5 11.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.869 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.646 ' N ' HD23 ' A' ' 91' ' ' LEU . 7.6 pt-20 -44.74 -30.07 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.1 t -65.27 -63.27 1.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.1 t -41.21 -59.42 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.558 HD21 HD12 ' A' ' 76' ' ' LEU . 42.8 mt -54.7 -34.46 62.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.5 t -69.26 -39.2 78.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 -74.36 -40.49 62.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.404 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 21.3 mmtp -73.27 -61.9 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 50.2 mt -72.32 99.98 2.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.931 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.5 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.841 0.353 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -53.58 -22.41 8.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -80.44 151.56 72.09 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.603 0.716 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 141.43 45.22 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.729 2.286 . . . . 0.0 112.322 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 15' ' ' ARG . 4.5 t80 -44.73 -63.61 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 14' ' ' TYR . 15.1 ttm180 -34.01 -60.86 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.24 -52.9 14.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.487 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 34.2 mtp180 -56.71 -30.93 63.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.618 HG13 HD11 ' A' ' 32' ' ' LEU . 88.9 t -76.12 -59.59 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.482 HG13 ' N ' ' A' ' 20' ' ' HIS . 17.1 pt -56.84 -46.12 83.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.127 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.613 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 15.7 m80 -53.56 -26.64 22.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.6 mt -86.69 -46.51 9.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.854 HD11 HD23 ' A' ' 53' ' ' LEU . 60.6 mt -63.24 -31.66 72.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.576 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -48.14 -64.62 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.9 mt -43.46 -50.01 7.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.0 pttt -161.97 171.95 16.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.441 ' HB2' HG22 ' A' ' 67' ' ' THR . . . -69.7 132.34 45.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.716 ' HB2' HD23 ' A' ' 22' ' ' LEU . 15.6 m-85 -126.3 135.86 52.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -80.25 156.18 26.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.616 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 5.0 tptm -41.2 -53.55 6.56 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.566 0.698 . . . . 0.0 110.931 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.616 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.73 -50.74 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.702 2.268 . . . . 0.0 112.363 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -54.31 -63.27 1.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.882 HD12 HD21 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -40.04 -46.59 2.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 36' ' ' LEU . 9.3 mt -53.57 -60.39 3.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -32.62 -48.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.494 ' HA ' ' CE ' ' A' ' 38' ' ' LYS . 8.8 mmt180 -61.34 -44.68 96.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 33' ' ' LEU . 46.7 mt -74.4 -58.01 3.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.441 ' NE2' ' HB ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -41.12 -33.47 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.494 ' CE ' ' HA ' ' A' ' 35' ' ' ARG . 22.2 mtmt -45.52 -55.6 6.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -78.84 -22.88 45.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.32 122.81 2.53 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.441 ' HB ' ' NE2' ' A' ' 37' ' ' GLN . 17.5 t -123.28 136.84 58.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 111.111 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -82.68 125.92 31.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.82 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -46.48 -46.4 18.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -57.8 -28.65 64.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.6 -26.5 27.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -56.29 -48.9 75.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -65.27 -32.44 74.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 p -75.12 -34.05 61.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.613 HD22 ' CD1' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -41.29 -57.32 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.931 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.85 -36.03 13.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.73 -44.89 65.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.762 0.315 . . . . 0.0 111.093 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' GLN . 47.8 mt -61.97 -47.87 91.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.882 HD21 HD12 ' A' ' 32' ' ' LEU . 14.5 mt -45.82 -34.34 3.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -87.76 -20.72 25.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 52' ' ' ILE . 30.9 mt-30 -84.6 -24.03 29.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.462 ' CG2' HG22 ' A' ' 19' ' ' ILE . 20.9 m -122.75 -23.58 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.641 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -124.9 177.37 6.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.078 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -126.98 130.78 50.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.601 HD23 ' N ' ' A' ' 60' ' ' ASN . 0.7 OUTLIER -78.72 131.53 36.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.601 ' N ' HD23 ' A' ' 59' ' ' LEU . 2.3 t-20 -109.97 95.41 5.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.8 t -43.46 -24.92 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.1 tptt -49.91 -65.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -116.93 13.97 15.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.7 mt 56.48 24.98 9.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.1 p -98.38 143.43 28.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.544 ' CB ' HD22 ' A' ' 53' ' ' LEU . 61.2 m-85 -93.5 126.54 38.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.441 HG22 ' HB2' ' A' ' 26' ' ' ALA . 67.1 p -108.68 124.59 50.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.119 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.576 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.27 129.17 37.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.428 ' HB2' HG23 ' A' ' 72' ' ' VAL . 27.4 mttm -51.86 -174.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.455 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 1.6 m-20 -97.28 -44.8 6.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.54 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.9 p90 -64.73 -46.56 81.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.54 HG23 ' CE1' ' A' ' 71' ' ' TYR . 58.1 t -45.19 -35.02 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.13 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.487 ' CE1' HD13 ' A' ' 68' ' ' LEU . 15.6 m-85 -46.78 -36.69 7.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -69.49 -31.88 70.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -71.6 -23.7 61.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 66.7 mt -51.28 170.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -128.54 115.65 18.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.6 mtm180 -60.38 -20.48 59.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -98.64 22.79 9.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.613 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 68.6 t-105 -62.28 118.88 44.39 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.605 0.717 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 0.96 4.92 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.309 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -90.81 -9.52 64.07 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.507 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.859 ' CE2' HD13 ' A' ' 91' ' ' LEU . 20.8 m-85 -100.68 118.07 36.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 110.936 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 86' ' ' ILE . 61.4 m -75.85 173.3 11.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -39.33 -26.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.469 ' N ' ' O ' ' A' ' 84' ' ' SER . 6.5 mm -93.97 -64.05 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 86' ' ' ILE . 3.4 m-20 -33.91 -51.97 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.435 ' N ' ' HB3' ' A' ' 83' ' ' TYR . 97.5 mtt180 -50.62 -64.06 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.441 ' NH1' ' HB2' ' A' ' 89' ' ' ARG . 0.6 OUTLIER -58.55 -22.73 56.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.892 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -82.52 -20.39 36.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.859 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.08 -46.49 7.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.771 ' N ' HD23 ' A' ' 91' ' ' LEU . 9.2 pt-20 -43.05 -25.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 34.6 t -73.06 -58.83 3.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 88.1 t -44.56 -51.95 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 61.1 mt -60.95 -37.55 82.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.0 t -67.52 -32.7 73.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.9 mtm180 -79.35 -49.9 11.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 47.4 mmtt -66.54 -62.96 1.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 35.2 mt -69.1 99.31 1.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 179.908 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.2 t . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.827 0.346 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -59.85 -30.26 68.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.431 ' HG3' ' CZ3' ' A' ' 80' ' ' TRP . 5.0 mmp_? -70.44 152.65 95.42 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.57 0.7 . . . . 0.0 110.861 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 14' ' ' TYR . 53.5 Cg_endo -69.79 132.77 23.99 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.708 2.272 . . . . 0.0 112.313 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.446 ' C ' ' O ' ' A' ' 13' ' ' PRO . 5.6 t80 -34.98 -64.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 14' ' ' TYR . 16.1 ttp180 -34.23 -58.71 0.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.65 -50.73 23.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -57.18 -38.99 74.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.577 HG13 HD11 ' A' ' 32' ' ' LEU . 72.2 t -68.54 -59.63 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.484 HG13 ' N ' ' A' ' 20' ' ' HIS . 24.4 pt -54.88 -41.19 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.773 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 9.0 m80 -57.76 -35.0 70.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 82.5 mt -81.54 -41.64 21.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.813 HD11 HD23 ' A' ' 53' ' ' LEU . 40.4 mt -65.32 -31.73 73.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.598 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -52.94 -65.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.508 HD11 ' OD2' ' A' ' 87' ' ' ASP . 15.8 mt -38.84 -47.17 1.38 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -167.06 172.97 9.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.04 134.44 47.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.058 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.491 ' HB2' HD23 ' A' ' 22' ' ' LEU . 12.2 m-85 -126.82 153.83 45.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 29' ' ' LYS . 3.8 mptt -96.38 149.34 21.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.609 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.3 tptm -36.9 -54.03 1.82 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.592 0.711 . . . . 0.0 110.903 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.609 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.7 Cg_endo -69.77 -49.78 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -56.07 -63.69 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.663 HD12 HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -38.86 -42.08 0.8 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 36' ' ' LEU . 10.2 mt -60.12 -55.91 28.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -39.82 -25.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.504 ' HA ' ' CE ' ' A' ' 38' ' ' LYS . 57.7 mmt-85 -85.29 -37.26 20.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' A' ' 33' ' ' LEU . 25.6 mt -82.04 -50.56 8.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.466 ' NE2' ' HB ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -51.78 -42.3 62.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.954 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.504 ' CE ' ' HA ' ' A' ' 35' ' ' ARG . 1.3 ptpt -54.04 -38.78 65.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -84.01 -26.65 28.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.91 106.83 1.07 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.513 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.466 ' HB ' ' NE2' ' A' ' 37' ' ' GLN . 19.1 t -120.23 151.13 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 111.138 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' A' ' 45' ' ' ASP . 2.4 t30 -108.48 125.71 52.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -38.14 -35.39 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -60.5 -44.88 95.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 48' ' ' SER . 5.9 m-20 -69.08 -43.66 74.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 45' ' ' ASP . 4.5 mtmp? -37.96 -40.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -72.61 -43.23 63.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 45' ' ' ASP . 25.3 m -62.76 -40.8 98.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.591 HD22 ' CD1' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -38.63 -68.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.42 -37.69 1.24 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.05 -35.36 49.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.736 0.303 . . . . 0.0 111.086 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.642 ' O ' HG22 ' A' ' 56' ' ' VAL . 84.3 mt -69.12 -41.0 81.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.152 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.813 HD23 HD11 ' A' ' 22' ' ' LEU . 12.5 mt -53.03 -34.13 55.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -90.17 -14.72 32.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.427 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 7.7 mm100 -91.74 -24.5 19.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.642 HG22 ' O ' ' A' ' 52' ' ' ILE . 26.2 m -120.24 -26.42 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.759 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -123.24 177.36 5.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -127.98 129.22 46.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.61 HD23 ' N ' ' A' ' 60' ' ' ASN . 2.1 tt -79.01 133.17 36.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.61 ' N ' HD23 ' A' ' 59' ' ' LEU . 29.1 t30 -111.28 94.71 5.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.6 t -39.14 -27.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 60' ' ' ASN . 6.8 tptp -48.16 -68.05 0.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -115.73 20.22 14.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.8 mt 48.24 26.2 1.02 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 99.7 p -97.42 143.0 28.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.637 ' CG ' HD22 ' A' ' 53' ' ' LEU . 48.5 m-85 -92.61 129.01 38.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 38.2 p -113.55 124.61 52.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.156 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.598 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.17 129.03 36.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.479 ' HB2' HG23 ' A' ' 72' ' ' VAL . 29.3 mttm -51.93 -175.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.541 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 4.9 p-10 -97.58 -43.45 7.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.501 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.7 p90 -65.9 -40.71 91.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.502 HG11 HD21 ' A' ' 68' ' ' LEU . 53.1 t -53.2 -31.92 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.095 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.541 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 15.1 m-85 -49.04 -33.11 10.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -73.49 -31.9 63.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -69.15 -23.21 63.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.0 mt -55.65 164.23 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -126.34 114.04 17.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 -57.21 -14.33 4.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -99.91 18.65 17.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.773 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 73.0 t-105 -64.39 120.28 63.74 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.545 0.688 . . . . 0.0 110.926 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -5.15 15.52 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.31 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.455 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -84.02 -11.8 78.1 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.793 ' CE2' HD13 ' A' ' 91' ' ' LEU . 25.1 m-85 -96.53 114.0 25.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.864 0.364 . . . . 0.0 110.914 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.465 ' N ' ' HB2' ' A' ' 87' ' ' ASP . 31.5 m -67.28 176.77 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -50.72 -22.92 2.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.501 ' N ' HD12 ' A' ' 86' ' ' ILE . 4.5 mp -96.74 -45.77 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.508 ' OD2' HD11 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -50.19 -54.39 21.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 -45.49 -50.13 13.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.406 ' CG ' ' O ' ' A' ' 86' ' ' ILE . 4.5 ptm180 -71.86 -23.8 61.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -80.69 -20.92 41.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.793 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.03 -47.4 7.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.788 ' N ' HD23 ' A' ' 91' ' ' LEU . 8.7 pt-20 -44.41 -24.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.7 t -77.29 -53.22 7.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 74.9 t -47.98 -51.08 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.091 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.5 ' HB3' HD12 ' A' ' 99' ' ' LEU . 32.2 mt -57.13 -34.22 68.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.9 t -68.0 -39.54 83.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -76.19 -38.77 56.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.525 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 37.5 mmtm -78.0 -63.99 1.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.5 HD12 ' HB3' ' A' ' 95' ' ' LEU . 36.1 mt -68.64 97.27 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.966 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.921 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -73.74 169.25 17.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.845 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.7 p -98.61 -56.27 2.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.81 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.03 175.99 44.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.3 p -158.72 171.92 19.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 0.0 110.886 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 t -96.41 97.51 9.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.832 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.56 93.45 1.58 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.469 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.2 p -101.03 153.32 19.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.323 . . . . 0.0 111.137 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.479 ' CD1' ' HG2' ' A' ' 81' ' ' PRO . 49.4 mm -64.19 -43.56 97.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.088 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.2 p -51.25 -43.57 61.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -55.18 -24.38 26.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -80.43 152.26 72.88 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.644 0.735 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 134.84 29.11 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.273 . . . . 0.0 112.389 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.452 ' O ' ' C ' ' A' ' 15' ' ' ARG . 5.6 t80 -41.84 -61.05 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 14' ' ' TYR . 15.1 ttp180 -33.52 -66.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.412 ' HA ' HD11 ' A' ' 19' ' ' ILE . 2.9 m-20 -43.73 -57.52 3.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.419 ' HA ' ' CZ2' ' A' ' 80' ' ' TRP . 64.9 mtp180 -49.52 -37.15 25.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.686 HG13 HD11 ' A' ' 32' ' ' LEU . 83.9 t -70.56 -65.53 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.484 HG13 ' N ' ' A' ' 20' ' ' HIS . 27.4 pt -48.36 -43.93 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.717 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 13.2 m80 -53.2 -27.54 22.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.805 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 58.9 mt -88.42 -47.46 8.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.937 HD11 HD23 ' A' ' 53' ' ' LEU . 46.7 mt -64.17 -22.18 66.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.819 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -54.16 -69.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.1 mt -43.5 -46.36 6.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.426 ' HE2' ' CZ ' ' A' ' 27' ' ' TYR . 31.4 pttt -161.59 169.93 20.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.527 ' HB1' ' O ' ' A' ' 66' ' ' TYR . . . -74.93 143.3 43.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.426 ' CZ ' ' HE2' ' A' ' 25' ' ' LYS . 12.2 m-85 -130.13 154.92 47.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.91 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 29' ' ' LYS . 8.7 mptt -91.76 147.72 22.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.899 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.6 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.2 tptm -35.81 -54.68 1.32 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.608 0.718 . . . . 0.0 110.904 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.6 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.2 Cg_endo -69.73 -50.48 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.651 2.234 . . . . 0.0 112.357 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 32' ' ' LEU . 9.8 tt0 -54.52 -66.96 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.947 HD12 HD21 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -34.11 -44.16 0.17 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 35' ' ' ARG . 12.8 mt -61.24 -55.29 33.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.501 ' O ' ' CG ' ' A' ' 38' ' ' LYS . . . -40.21 -24.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 33' ' ' LEU . 13.9 mmt180 -85.16 -44.49 12.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' GLN . 10.4 mt -78.87 -54.04 6.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.566 ' HA ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -35.91 -45.64 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -42.44 -58.37 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -67.79 -24.22 65.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.68 111.81 1.83 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.492 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.566 HG23 ' HA ' ' A' ' 37' ' ' GLN . 18.9 t -114.47 123.64 70.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.83 0.348 . . . . 0.0 111.146 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -64.67 136.19 56.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -57.55 -49.67 75.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -56.53 -24.57 47.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -87.7 -36.33 17.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.853 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -42.65 -34.24 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -82.82 -42.49 17.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 98.4 p -60.59 -35.63 76.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.565 HD22 ' CD1' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -39.79 -57.37 1.57 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.38 -38.18 12.87 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.435 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.82 -41.85 64.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.798 0.332 . . . . 0.0 111.105 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.466 ' O ' HG22 ' A' ' 56' ' ' VAL . 65.0 mt -63.3 -46.95 94.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.947 HD21 HD12 ' A' ' 32' ' ' LEU . 13.9 mt -47.79 -32.44 6.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -89.03 -20.21 24.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -84.86 -24.05 28.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 52' ' ' ILE . 34.8 m -124.94 -21.81 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.172 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.747 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -124.4 177.31 5.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.113 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -134.46 121.7 21.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.785 HD23 ' N ' ' A' ' 60' ' ' ASN . 3.1 tt -78.6 130.31 35.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.785 ' N ' HD23 ' A' ' 59' ' ' LEU . 4.0 t-20 -108.55 104.21 13.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.7 p -43.19 -26.03 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.3 tptt -49.11 -67.62 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -117.21 23.62 11.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.584 ' HA ' HD21 ' A' ' 59' ' ' LEU . 17.2 mt 43.36 33.14 0.57 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.9 p -106.29 135.72 47.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.534 ' CD1' ' HB3' ' A' ' 53' ' ' LEU . 92.1 m-85 -83.95 131.41 34.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.1 p -111.13 124.48 52.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.163 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.819 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -61.41 122.09 14.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.484 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . 40.3 mttt -48.76 178.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.572 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 26.8 t0 -89.9 -61.47 1.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.485 ' CG ' ' N ' ' A' ' 72' ' ' VAL . 2.6 p90 -48.87 -44.3 39.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.595 HG11 HD21 ' A' ' 68' ' ' LEU . 81.6 t -46.93 -36.25 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.15 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.579 ' CD2' ' HG3' ' A' ' 98' ' ' LYS . 26.2 m-85 -47.59 -32.48 5.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -73.21 -29.54 62.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -74.73 -24.07 58.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 73' ' ' PHE . 64.2 mt -54.39 178.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -130.33 114.94 16.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 85.0 mtm-85 -60.97 -17.64 52.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -105.61 31.89 4.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.717 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 73.2 t-105 -71.52 125.49 91.77 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.532 0.682 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.479 ' HG2' ' CD1' ' A' ' 9' ' ' ILE . 53.8 Cg_endo -69.74 -0.26 6.64 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.697 2.265 . . . . 0.0 112.355 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -92.06 -8.08 63.53 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.851 ' CE2' HD13 ' A' ' 91' ' ' LEU . 24.2 m-85 -98.23 114.1 26.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.896 0.379 . . . . 0.0 110.918 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.8 m -71.52 176.73 4.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -47.91 -25.55 1.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.65 ' N ' HD12 ' A' ' 86' ' ' ILE . 3.0 mp -94.32 -56.88 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.198 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -41.76 -55.17 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.462 ' HG3' ' CB ' ' A' ' 83' ' ' TYR . 46.4 mtp180 -44.5 -50.1 9.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.402 ' CG ' ' O ' ' A' ' 86' ' ' ILE . 5.0 ptm180 -74.29 -19.4 60.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 t -85.03 -19.45 31.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.851 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.17 -42.33 9.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.94 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.696 ' N ' HD23 ' A' ' 91' ' ' LEU . 8.1 pt-20 -45.84 -24.34 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.3 t -70.27 -70.39 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 97' ' ' ARG . 61.9 t -37.91 -66.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.431 HD22 ' HB3' ' A' ' 73' ' ' PHE . 14.8 mt -42.01 -39.69 1.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.2 t -71.95 -31.57 66.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 94' ' ' VAL . 8.2 mmt180 -79.92 -28.85 39.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.579 ' HG3' ' CD2' ' A' ' 73' ' ' PHE . 8.5 mmmt -93.16 -58.49 2.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 64.2 mt -68.37 94.45 0.54 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.877 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 m -132.23 119.34 20.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.906 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.2 p -80.91 -48.39 12.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.69 144.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -143.11 138.65 30.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.376 . . . . 0.0 110.821 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -151.25 136.22 17.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.36 65.94 0.4 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.482 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.0 p -144.4 171.92 13.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.75 0.31 . . . . 0.0 111.15 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.401 HG22 ' NE ' ' A' ' 17' ' ' ARG . 17.2 mm -80.29 -41.95 21.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.5 t -50.34 -53.76 26.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.836 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -44.56 -27.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -77.12 152.63 82.19 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.625 0.726 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 145.9 58.54 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.701 2.267 . . . . 0.0 112.33 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.481 ' CE2' ' HG ' ' A' ' 49' ' ' LEU . 3.4 t80 -51.98 -64.42 0.82 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.473 ' HG2' ' N ' ' A' ' 16' ' ' ASP . 25.5 ttm180 -33.19 -72.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.488 ' OD1' ' CE1' ' A' ' 20' ' ' HIS . 11.3 t0 -40.21 -56.35 1.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.401 ' NE ' HG22 ' A' ' 9' ' ' ILE . 33.0 mtp180 -49.09 -39.5 28.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.707 HG13 HD11 ' A' ' 32' ' ' LEU . 64.7 t -67.05 -64.83 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.156 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.476 HG13 ' N ' ' A' ' 20' ' ' HIS . 26.9 pt -48.53 -43.76 13.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.771 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 7.7 m80 -55.13 -26.73 40.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.8 mt -89.35 -47.81 7.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.936 HD11 HD23 ' A' ' 53' ' ' LEU . 51.1 mt -60.26 -28.22 67.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.745 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -53.6 -64.97 0.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.07 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.9 mt -41.41 -45.7 3.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 ptmt -167.74 172.1 9.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.53 134.04 46.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.079 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.497 ' HB2' HD23 ' A' ' 22' ' ' LEU . 12.0 m-85 -124.93 154.3 41.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -95.03 146.23 24.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.587 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.2 tptm -34.88 -55.05 0.98 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.573 0.701 . . . . 0.0 110.901 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.0 Cg_endo -69.71 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.727 2.284 . . . . 0.0 112.375 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -54.48 -63.46 1.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.773 HD12 HD21 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -38.44 -45.01 0.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 36' ' ' LEU . 7.9 mt -57.03 -57.34 13.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -35.81 -36.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -70.82 -46.38 62.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 33' ' ' LEU . 24.4 mt -75.91 -56.99 4.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.52 ' N ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -38.85 -36.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -47.92 -59.12 3.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -76.73 -17.11 59.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.54 125.03 2.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.52 HG23 ' N ' ' A' ' 37' ' ' GLN . 18.6 t -131.73 117.41 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 111.129 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -58.43 152.41 17.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -74.34 -49.46 22.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.5 ptpp? -56.24 -24.1 40.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -88.02 -34.3 18.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -44.2 -49.79 9.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -71.77 -37.23 70.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.5 m -64.9 -29.24 70.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.6 HD22 ' CD1' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -47.29 -54.96 9.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.49 -33.08 8.11 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.42 -43.93 30.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.737 0.303 . . . . 0.0 111.135 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.559 ' O ' HG22 ' A' ' 56' ' ' VAL . 45.2 mt -61.49 -42.35 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.936 HD23 HD11 ' A' ' 22' ' ' LEU . 13.3 mt -52.91 -34.89 57.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -86.71 -16.65 35.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.406 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 27.8 mt-30 -87.42 -25.05 23.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 52' ' ' ILE . 34.4 m -123.98 -22.21 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.727 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -124.53 177.59 5.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -134.28 127.08 31.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.611 HD23 ' N ' ' A' ' 60' ' ' ASN . 4.7 tt -79.08 127.43 31.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.611 ' N ' HD23 ' A' ' 59' ' ' LEU . 12.5 t-20 -105.19 100.32 9.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 99.5 p -43.05 -24.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 60' ' ' ASN . 6.7 tttp -49.37 -67.12 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.16 11.54 17.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.0 mt 56.19 28.2 12.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 90.7 p -104.19 139.07 39.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.552 ' CZ ' HD12 ' A' ' 59' ' ' LEU . 43.1 m-85 -83.66 123.52 29.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.8 p -105.67 124.46 49.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.745 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -57.61 129.43 41.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.408 ' HB2' HG23 ' A' ' 72' ' ' VAL . 29.3 mttm -51.71 -177.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.499 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 17.7 p-10 -97.98 -38.52 9.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.786 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.572 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.6 p90 -69.59 -44.81 70.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.572 HG23 ' CE1' ' A' ' 71' ' ' TYR . 49.8 t -49.77 -32.17 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.551 ' CE2' ' HG3' ' A' ' 98' ' ' LYS . 11.6 m-85 -47.47 -33.61 6.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -74.73 -31.18 61.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -70.81 -19.15 62.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.96 177.98 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -145.99 125.55 13.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.7 mtt85 -66.68 -17.86 65.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -80.51 -5.32 56.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.771 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 65.1 t-105 -52.72 130.27 46.51 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.589 0.709 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -26.7 27.17 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.655 2.236 . . . . 0.0 112.343 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.75 -22.92 35.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.843 ' CE2' HD13 ' A' ' 91' ' ' LEU . 17.6 m-85 -95.2 115.83 27.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.855 0.359 . . . . 0.0 110.944 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 73.6 m -74.91 -176.56 2.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -49.98 -23.41 2.0 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.452 ' O ' ' C ' ' A' ' 87' ' ' ASP . 4.5 mp -96.6 -64.37 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 86' ' ' ILE . 1.4 m-20 -34.44 -54.53 0.53 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.814 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 88' ' ' ARG . 14.5 mtp-105 -45.18 -51.98 9.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -72.42 -21.3 61.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 m -85.38 -16.17 40.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.843 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.01 -43.21 9.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.699 ' N ' HD23 ' A' ' 91' ' ' LEU . 19.0 pt-20 -48.99 -19.79 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.4 t -73.01 -61.81 1.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.4 t -46.31 -58.16 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 51.6 mt -50.71 -33.68 23.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.2 t -69.8 -42.06 74.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -69.81 -46.15 66.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.551 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 57.0 mmtt -69.97 -67.94 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 28.8 mt -65.64 93.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.889 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 p -98.43 91.71 5.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 110.885 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.1 m -42.67 151.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.33 -105.49 0.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 m -156.12 171.59 19.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.869 0.366 . . . . 0.0 110.849 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 t -69.88 -51.09 36.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.35 -142.62 11.86 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.455 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.7 p -138.04 173.27 11.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.762 0.315 . . . . 0.0 111.105 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.7 mm -84.62 -44.28 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.8 m -48.56 -50.82 30.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 47.6 mm-40 -51.45 -31.78 24.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 mmt-85 -72.37 151.21 91.94 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.623 0.725 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 150.72 68.57 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.678 2.252 . . . . 0.0 112.369 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.433 ' O ' ' C ' ' A' ' 15' ' ' ARG . 5.3 t80 -53.92 -63.87 1.01 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 14' ' ' TYR . 3.1 ttp-105 -34.19 -52.24 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.17 -55.5 30.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.471 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 44.8 mtp180 -55.35 -28.6 54.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.647 HG13 HD11 ' A' ' 32' ' ' LEU . 42.6 t -77.07 -59.66 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.486 HG13 ' N ' ' A' ' 20' ' ' HIS . 11.8 pt -57.96 -48.64 83.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.69 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 12.4 m80 -49.25 -28.45 4.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.0 mt -84.73 -49.28 8.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.785 HD11 HD23 ' A' ' 53' ' ' LEU . 40.8 mt -59.93 -30.57 69.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.583 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -46.61 -74.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.436 HD22 ' HB3' ' A' ' 90' ' ' SER . 79.7 mt -39.24 -45.93 1.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.414 ' HE2' ' CZ ' ' A' ' 27' ' ' TYR . 36.3 pttt -161.85 161.27 28.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.61 143.09 53.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.639 ' HB2' HD23 ' A' ' 22' ' ' LEU . 11.3 m-85 -129.18 161.58 29.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.953 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -101.84 148.91 24.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.908 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.594 ' CE ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -35.27 -55.28 1.07 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.615 0.722 . . . . 0.0 110.907 179.856 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.584 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.8 -50.66 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.647 2.231 . . . . 0.0 112.368 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 32' ' ' LEU . 9.4 tt0 -55.37 -64.21 0.92 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.909 HD12 HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -37.45 -45.11 0.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.51 HD11 ' NZ ' ' A' ' 29' ' ' LYS . 11.5 mt -56.62 -60.15 3.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -33.65 -38.7 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.075 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 33' ' ' LEU . 6.1 mmm180 -71.46 -46.94 58.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 33' ' ' LEU . 14.2 mt -72.13 -55.9 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.471 ' NE2' ' HB ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -43.75 -35.72 1.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -48.92 -54.49 15.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.47 -27.25 58.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.72 115.84 1.63 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.46 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.471 ' HB ' ' NE2' ' A' ' 37' ' ' GLN . 22.7 t -122.54 146.12 28.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.83 0.347 . . . . 0.0 111.102 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -89.69 119.22 29.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -45.08 -29.74 0.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -71.66 -40.18 69.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.68 -28.44 61.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -46.72 -49.44 19.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -64.56 -40.75 96.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.6 p -64.81 -32.79 74.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.594 HD13 ' CE ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -43.92 -55.64 4.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -50.03 -35.72 26.25 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.78 -42.0 64.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 55' ' ' GLN . 59.0 mt -64.15 -46.97 92.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.909 HD21 HD12 ' A' ' 32' ' ' LEU . 15.5 mt -46.65 -34.44 5.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -87.0 -21.6 26.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' ILE . 14.8 mm-40 -84.47 -22.68 30.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.48 ' CG2' HG22 ' A' ' 19' ' ' ILE . 18.9 m -124.13 -22.76 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.662 ' HB3' ' O ' ' A' ' 53' ' ' LEU . . . -125.33 177.36 6.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.072 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -133.84 130.2 37.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.819 HD23 ' N ' ' A' ' 60' ' ' ASN . 4.2 tt -79.4 130.37 35.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.819 ' N ' HD23 ' A' ' 59' ' ' LEU . 19.7 t30 -106.1 98.8 8.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.7 t -39.62 -30.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -46.16 -66.86 0.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -116.03 15.79 16.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.577 ' HA ' HD21 ' A' ' 59' ' ' LEU . 40.0 mt 51.45 26.72 3.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.1 p -97.34 140.96 31.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.469 ' CB ' HD22 ' A' ' 53' ' ' LEU . 72.3 m-85 -88.62 117.17 27.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.9 p -100.65 125.75 47.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.583 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -57.61 128.21 35.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.401 ' HE3' ' C ' ' A' ' 55' ' ' GLN . 28.9 mttm -49.57 -179.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.573 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -96.77 -40.69 8.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.689 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.5 p90 -66.6 -42.52 86.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.689 HG23 ' CE1' ' A' ' 71' ' ' TYR . 78.9 t -50.65 -34.61 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.083 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 18.8 m-85 -47.27 -31.4 3.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -73.73 -30.92 63.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -71.39 -31.04 66.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.448 HD12 HD21 ' A' ' 95' ' ' LEU . 77.7 mt -45.24 167.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -122.24 113.59 19.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.421 ' NH2' ' HA ' ' A' ' 92' ' ' GLU . 10.1 mmt180 -54.86 -25.21 27.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -98.16 30.73 2.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.69 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 73.1 t-105 -67.41 119.06 62.53 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.615 0.721 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -6.53 18.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.462 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -83.47 -15.24 71.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.521 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.865 ' CE2' HD13 ' A' ' 91' ' ' LEU . 23.2 m-85 -93.92 115.39 27.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 0.0 110.946 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.406 ' C ' ' N ' ' A' ' 86' ' ' ILE . 58.5 m -75.74 175.82 8.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -42.85 -24.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 87' ' ' ASP . 7.8 mm -92.64 -62.78 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.104 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.457 ' HB2' ' CA ' ' A' ' 83' ' ' TYR . 3.3 m-20 -36.04 -56.77 0.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -44.5 -60.17 2.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -61.07 -22.16 64.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.436 ' HB3' HD22 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -84.63 -23.05 29.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.773 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.865 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.13 -35.39 13.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.534 ' N ' HD23 ' A' ' 91' ' ' LEU . 13.9 pt-20 -55.64 -18.02 6.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t -88.11 -62.87 1.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.46 ' CG1' ' N ' ' A' ' 95' ' ' LEU . 3.0 p -46.3 -41.88 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.46 ' N ' ' CG1' ' A' ' 94' ' ' VAL . 84.4 mt -70.55 -24.32 62.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -79.79 -42.23 24.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -75.28 -34.95 61.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -73.6 -56.69 4.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.1 mt -77.87 94.27 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.915 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -163.29 145.28 9.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.38 . . . . 0.0 110.826 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 p -84.02 100.18 10.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.17 -99.39 0.12 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.507 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -108.73 121.43 45.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.372 . . . . 0.0 110.858 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.4 t -82.58 135.55 35.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.23 -168.5 18.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.686 HG22 ' H ' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -112.69 177.78 4.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.78 0.324 . . . . 0.0 111.168 -179.889 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.686 ' H ' HG22 ' A' ' 8' ' ' THR . 38.3 mm -62.99 -50.22 80.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.0 m -59.75 -36.77 77.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -68.84 -33.71 74.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.9 mmp_? -68.8 155.21 93.71 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.604 0.716 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 149.07 66.5 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.673 2.249 . . . . 0.0 112.336 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.463 ' O ' ' C ' ' A' ' 15' ' ' ARG . 6.3 t80 -48.35 -66.88 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.467 ' O ' HG23 ' A' ' 19' ' ' ILE . 12.6 ttp180 -33.56 -52.52 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.81 -54.2 31.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.488 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 32.6 mtp180 -58.57 -30.69 67.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.539 HG13 HD11 ' A' ' 32' ' ' LEU . 99.2 t -73.27 -49.36 38.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.635 HG22 HG21 ' A' ' 56' ' ' VAL . 17.6 pt -68.66 -33.64 60.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.733 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 9.0 m80 -65.79 -24.87 67.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.1 mt -89.5 -45.54 9.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.813 HD11 HD23 ' A' ' 53' ' ' LEU . 66.8 mt -63.4 -28.94 70.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.619 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -50.67 -68.38 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.4 mt -41.71 -50.82 4.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.9 pttt -157.94 170.14 22.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.567 ' HB2' HG22 ' A' ' 67' ' ' THR . . . -73.48 135.36 44.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.599 ' HB2' HD23 ' A' ' 22' ' ' LEU . 12.4 m-85 -125.85 147.5 49.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 29' ' ' LYS . 18.2 mttt -89.47 147.95 23.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.582 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.2 tptm -34.25 -55.3 0.84 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.504 0.669 . . . . 0.0 110.876 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.2 Cg_endo -69.78 -48.46 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -56.09 -63.57 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.756 HD12 HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -38.53 -43.64 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.93 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 36' ' ' LEU . 8.7 mt -58.03 -59.04 5.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.448 ' O ' ' CD ' ' A' ' 38' ' ' LYS . . . -35.57 -32.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 33' ' ' LEU . 8.1 mmm180 -77.68 -45.34 25.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 33' ' ' LEU . 29.1 mt -74.96 -54.27 7.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.447 ' HA ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -43.71 -38.92 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.448 ' CD ' ' O ' ' A' ' 34' ' ' ALA . 19.1 mtpt -47.1 -59.02 3.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -72.99 -19.26 61.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.93 122.44 2.63 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.447 HG23 ' HA ' ' A' ' 37' ' ' GLN . 18.5 t -125.76 145.8 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.824 0.345 . . . . 0.0 111.113 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.6 m-20 -90.42 126.03 35.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -50.86 -51.96 46.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.32 -20.82 12.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -91.41 -33.91 15.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -49.84 -50.41 45.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -58.68 -36.5 74.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.3 m -73.68 -33.42 64.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.468 ' CD1' ' HG ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -39.37 -55.45 1.74 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -49.08 -37.3 22.89 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.474 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.65 -41.05 63.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.332 . . . . 0.0 111.103 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.494 ' O ' HG22 ' A' ' 56' ' ' VAL . 66.8 mt -62.58 -46.3 96.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.813 HD23 HD11 ' A' ' 22' ' ' LEU . 27.3 mt -48.3 -33.92 9.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -88.84 -17.91 28.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -86.7 -23.47 25.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.635 HG21 HG22 ' A' ' 19' ' ' ILE . 34.4 m -123.57 -24.28 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.642 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -126.62 177.42 6.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -126.09 133.45 51.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.599 HD23 ' N ' ' A' ' 60' ' ' ASN . 2.2 tt -78.85 132.2 36.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.599 ' N ' HD23 ' A' ' 59' ' ' LEU . 27.3 t30 -109.56 91.42 3.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 60' ' ' ASN . 2.0 m -38.51 -33.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -40.97 -68.38 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -116.84 12.68 14.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.9 mt 59.88 26.12 15.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.1 p -97.47 138.21 35.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.819 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.687 ' CE2' HD13 ' A' ' 53' ' ' LEU . 49.3 m-85 -89.56 127.54 35.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.567 HG22 ' HB2' ' A' ' 26' ' ' ALA . 44.2 p -109.22 124.4 50.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.098 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.619 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.03 128.59 34.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.429 ' HB2' HG23 ' A' ' 72' ' ' VAL . 30.9 mttm -51.14 -175.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.491 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 8.8 t70 -97.38 -41.3 8.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.546 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.8 p90 -67.41 -44.13 79.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.546 HG23 ' CE1' ' A' ' 71' ' ' TYR . 59.4 t -49.19 -32.83 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.147 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.491 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 14.6 m-85 -48.42 -32.77 8.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.27 -28.53 61.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -74.99 -23.64 58.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.405 HD12 HD21 ' A' ' 95' ' ' LEU . 61.2 mt -52.96 175.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -134.67 104.92 6.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.8 mtt180 -53.21 -16.43 1.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -98.31 19.52 14.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.733 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 74.6 t-105 -63.97 120.13 61.16 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.546 0.689 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 2.54 3.44 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.445 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -90.44 -10.84 63.25 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.886 ' CE2' HD13 ' A' ' 91' ' ' LEU . 25.0 m-85 -97.55 114.84 26.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.924 0.392 . . . . 0.0 110.886 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.5 m -67.74 179.09 1.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.855 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -49.48 -22.81 1.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.2 mp -95.64 -56.83 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.134 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.434 ' HB2' ' CA ' ' A' ' 83' ' ' TYR . 42.6 m-20 -41.76 -51.28 4.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.7 mtp-105 -48.0 -51.3 24.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -71.57 -20.64 61.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 m -84.45 -20.7 31.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.886 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.1 -37.46 12.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.576 ' N ' HD23 ' A' ' 91' ' ' LEU . 8.6 pt-20 -54.64 -17.33 3.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 t -84.76 -63.95 1.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.523 ' CG1' ' N ' ' A' ' 95' ' ' LEU . 1.9 p -45.68 -44.88 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.523 ' N ' ' CG1' ' A' ' 94' ' ' VAL . 66.4 mt -62.36 -27.74 69.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t -80.05 -49.28 12.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -65.01 -35.79 82.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.43 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 53.4 mmtt -73.95 -55.22 6.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.401 HD12 ' O ' ' A' ' 95' ' ' LEU . 8.9 mt -81.27 101.11 9.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.919 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.6 m120 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.916 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -160.69 177.09 10.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.873 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.3 t -81.23 105.02 12.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.801 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.31 -112.82 4.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.458 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m -83.92 170.13 14.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.2 t -135.19 140.6 45.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.75 73.46 0.6 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.529 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.9 p -91.74 170.72 9.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.835 0.35 . . . . 0.0 111.081 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.485 ' CD1' ' HG2' ' A' ' 81' ' ' PRO . 32.1 mm -87.75 -42.16 14.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.08 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.3 p -56.11 -20.06 15.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -82.64 -30.25 29.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -75.93 151.29 84.17 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.643 0.735 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.419 ' HG2' ' CG ' ' A' ' 16' ' ' ASP . 53.7 Cg_endo -69.75 141.98 46.72 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.715 2.276 . . . . 0.0 112.315 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.467 ' O ' ' C ' ' A' ' 15' ' ' ARG . 4.4 t80 -43.83 -66.65 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.467 ' C ' ' O ' ' A' ' 14' ' ' TYR . 18.6 ttp180 -32.89 -54.36 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.419 ' CG ' ' HG2' ' A' ' 13' ' ' PRO . 0.9 OUTLIER -53.73 -52.92 58.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.493 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 63.9 mtp180 -56.51 -30.43 63.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.697 HG13 HD11 ' A' ' 32' ' ' LEU . 70.4 t -76.11 -60.5 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.449 HG13 ' N ' ' A' ' 20' ' ' HIS . 28.3 pt -55.83 -40.39 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.587 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 12.9 m80 -58.86 -27.6 65.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 76.4 mt -89.31 -43.38 10.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.748 HD11 HD23 ' A' ' 53' ' ' LEU . 35.5 mt -64.85 -32.71 74.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.687 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -48.67 -63.94 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.8 mt -42.0 -50.43 4.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 22' ' ' LEU . 32.2 pttt -161.56 169.85 20.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.476 ' HB2' HG22 ' A' ' 67' ' ' THR . . . -70.12 133.83 47.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.55 ' HB2' HD23 ' A' ' 22' ' ' LEU . 11.2 m-85 -124.23 153.31 41.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -95.53 147.25 23.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.59 ' CE ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -34.33 -55.39 0.84 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.547 0.689 . . . . 0.0 110.883 179.886 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.4 Cg_endo -69.7 -50.37 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.688 2.259 . . . . 0.0 112.374 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 32' ' ' LEU . 10.5 tt0 -53.86 -64.66 0.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.705 HD12 HD21 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -36.54 -46.9 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.539 HD11 ' NZ ' ' A' ' 29' ' ' LYS . 14.3 mt -56.14 -57.38 12.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.962 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -34.82 -37.0 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 33' ' ' LEU . 22.2 mmt-85 -75.66 -44.51 42.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 33' ' ' LEU . 50.4 mt -74.05 -57.81 3.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.402 ' HA ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -38.27 -35.92 0.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.868 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -45.73 -57.75 4.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.6 -17.7 57.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.15 132.62 3.67 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.446 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.402 HG23 ' HA ' ' A' ' 37' ' ' GLN . 19.2 t -138.59 118.18 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.8 0.333 . . . . 0.0 111.129 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -59.79 142.03 54.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -63.57 -38.61 91.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -66.96 -25.93 66.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -87.89 -27.07 22.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -50.48 -51.25 48.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -70.88 -38.48 73.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.6 m -63.62 -29.96 71.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.59 HD13 ' CE ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -43.93 -45.11 7.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -56.85 -34.2 64.8 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.52 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.42 -45.14 66.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.75 0.309 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.557 ' O ' HG22 ' A' ' 56' ' ' VAL . 52.2 mt -65.02 -42.49 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.748 HD23 HD11 ' A' ' 22' ' ' LEU . 14.1 mt -50.7 -33.12 21.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -88.98 -20.07 24.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -84.98 -27.52 26.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.557 HG22 ' O ' ' A' ' 52' ' ' ILE . 31.8 m -118.2 -26.15 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.605 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -124.57 177.01 6.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -129.66 133.04 46.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.731 HD23 ' N ' ' A' ' 60' ' ' ASN . 1.4 tt -79.76 134.77 36.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.731 ' N ' HD23 ' A' ' 59' ' ' LEU . 7.0 t-20 -109.91 103.01 11.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.7 t -46.29 -24.09 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -48.35 -69.52 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.87 25.64 7.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.57 ' HA ' HD21 ' A' ' 59' ' ' LEU . 6.6 mp 51.76 34.47 13.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.4 p -99.93 129.68 46.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.477 ' CB ' HD22 ' A' ' 53' ' ' LEU . 82.8 m-85 -87.23 118.48 26.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.95 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.476 HG22 ' HB2' ' A' ' 26' ' ' ALA . 35.8 p -101.37 125.09 47.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.687 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.52 128.62 35.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -51.72 -178.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.573 ' HA ' ' CE2' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -89.3 -68.57 0.77 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.6 ' CG ' ' N ' ' A' ' 72' ' ' VAL . 2.8 p90 -44.69 -51.19 9.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.6 ' N ' ' CG ' ' A' ' 71' ' ' TYR . 59.9 t -39.98 -31.36 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.14 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' A' ' 70' ' ' ASP . 18.2 m-85 -50.92 -43.52 59.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 75' ' ' GLU . 11.4 ptmt -62.4 -27.37 69.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 74' ' ' LYS . 23.0 mt-10 -71.54 -35.22 70.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.529 HD12 HD21 ' A' ' 95' ' ' LEU . 83.2 mt -46.54 169.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -136.54 114.19 11.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -57.29 -23.07 46.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -79.16 -15.84 57.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.587 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 72.2 t-105 -41.22 128.47 2.13 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.593 0.711 . . . . 0.0 110.932 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.485 ' HG2' ' CD1' ' A' ' 9' ' ' ILE . 53.8 Cg_endo -69.78 -36.39 10.83 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -44.83 -24.13 0.69 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.51 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.747 ' CE2' HD13 ' A' ' 91' ' ' LEU . 24.5 m-85 -85.83 120.96 27.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.948 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.5 m -84.43 176.9 8.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -44.08 -24.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 87' ' ' ASP . 7.6 mm -96.56 -61.9 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.101 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 86' ' ' ILE . 16.2 m-20 -34.54 -60.7 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 -40.79 -59.15 1.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -64.27 -22.91 67.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 87' ' ' ASP . 1.3 t -83.6 -20.8 33.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.804 HD23 ' N ' ' A' ' 92' ' ' GLU . 0.1 OUTLIER -92.03 -46.32 7.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.804 ' N ' HD23 ' A' ' 91' ' ' LEU . 13.8 pt-20 -43.31 -24.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.3 t -72.64 -60.92 2.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 71.3 t -43.49 -63.75 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.529 HD21 HD12 ' A' ' 76' ' ' LEU . 23.9 mt -47.58 -27.07 1.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.3 t -80.02 -40.05 28.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -70.88 -48.22 54.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -65.9 -69.67 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.1 mt -58.69 96.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.913 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t -96.32 56.48 1.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.852 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.3 p -122.91 171.97 8.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.819 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.81 81.97 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.509 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.1 t 51.37 32.94 9.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.899 0.381 . . . . 0.0 110.856 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -75.8 93.82 3.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.33 175.1 15.6 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.9 p -137.06 157.62 46.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.76 0.314 . . . . 0.0 111.155 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.965 HG23 ' HG2' ' A' ' 17' ' ' ARG . 2.7 mp -51.66 -47.86 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 t -46.66 -32.86 3.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -85.68 -22.36 27.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 9' ' ' ILE . 7.8 mmt180 -78.83 150.07 74.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.611 0.72 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 14' ' ' TYR . 53.9 Cg_endo -69.8 138.41 37.63 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.713 2.275 . . . . 0.0 112.344 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.454 ' O ' ' C ' ' A' ' 15' ' ' ARG . 4.2 t80 -34.54 -63.17 0.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 14' ' ' TYR . 11.2 ttp180 -33.39 -62.65 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -45.99 -52.73 11.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.965 ' HG2' HG23 ' A' ' 9' ' ' ILE . 48.1 mtp180 -59.81 -28.74 67.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.7 t -75.58 -55.3 11.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.583 HG22 HG21 ' A' ' 56' ' ' VAL . 12.1 pt -63.46 -42.46 96.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.638 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 12.0 m80 -54.31 -29.2 46.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.823 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.459 HD13 HD23 ' A' ' 32' ' ' LEU . 77.5 mt -83.39 -48.37 10.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.862 HD11 HD23 ' A' ' 53' ' ' LEU . 38.7 mt -64.16 -27.51 69.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.718 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -50.85 -66.77 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.4 mt -41.15 -50.8 3.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 pttt -160.9 172.74 16.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.06 134.77 48.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.693 ' HB2' HD23 ' A' ' 22' ' ' LEU . 12.2 m-85 -125.54 154.26 42.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -96.47 148.95 22.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.904 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.601 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.0 tptm -35.95 -54.53 1.39 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 0.0 110.959 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.2 Cg_endo -69.83 -50.57 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.723 2.282 . . . . 0.0 112.282 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 32' ' ' LEU . 8.0 tt0 -55.3 -63.74 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.813 HD12 HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -36.93 -43.9 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.946 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 36' ' ' LEU . 10.0 mt -59.88 -58.0 10.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -34.13 -35.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.096 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 33' ' ' LEU . 49.3 mmt-85 -71.45 -47.57 54.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 33' ' ' LEU . 14.6 mt -75.31 -53.93 7.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.434 ' HA ' HG23 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -42.49 -26.66 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -60.43 -55.78 29.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -79.29 -13.87 59.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.837 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.8 130.62 3.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.434 HG23 ' HA ' ' A' ' 37' ' ' GLN . 37.2 t -139.39 115.81 9.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.795 0.331 . . . . 0.0 111.118 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -61.3 153.78 25.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -74.98 -43.15 55.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.15 -26.66 64.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 48' ' ' SER . 1.2 m-20 -86.68 -38.11 17.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -38.64 -41.0 0.65 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -78.88 -37.14 40.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 45' ' ' ASP . 50.1 m -65.54 -22.85 66.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.805 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.526 HD22 ' CD1' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -54.36 -59.38 4.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.87 -31.77 4.24 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.448 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.81 -43.05 31.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.744 0.307 . . . . 0.0 111.094 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.609 ' O ' HG22 ' A' ' 56' ' ' VAL . 66.0 mt -63.27 -42.32 95.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.862 HD23 HD11 ' A' ' 22' ' ' LEU . 14.7 mt -50.65 -33.29 21.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -88.8 -21.84 23.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -82.65 -24.59 33.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 52' ' ' ILE . 34.8 m -123.39 -25.37 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.66 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -123.12 177.28 5.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -130.92 131.03 44.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.76 HD12 ' OH ' ' A' ' 66' ' ' TYR . 2.4 tt -78.55 129.94 35.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.497 ' O ' ' N ' ' A' ' 62' ' ' LYS . 2.1 t-20 -107.64 86.04 2.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 60' ' ' ASN . 10.9 t -34.7 -32.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 60' ' ' ASN . 1.2 tppp? -43.2 -67.22 0.29 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -116.09 16.81 15.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.485 HD23 HD21 ' A' ' 59' ' ' LEU . 7.2 mt 52.3 32.3 10.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.5 p -105.03 133.04 50.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.76 ' OH ' HD12 ' A' ' 59' ' ' LEU . 48.4 m-85 -84.58 121.97 28.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.933 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.8 p -103.94 124.69 49.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.718 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -59.1 126.93 29.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -50.08 179.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.834 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.569 ' HA ' ' CE2' ' A' ' 73' ' ' PHE . 18.0 t70 -91.27 -60.56 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.687 ' CE1' HG23 ' A' ' 72' ' ' VAL . 2.3 p90 -48.64 -48.6 39.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.706 HG11 HD21 ' A' ' 68' ' ' LEU . 54.5 t -42.77 -37.54 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' A' ' 70' ' ' ASP . 19.3 m-85 -44.91 -39.92 5.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -66.4 -31.05 71.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 72' ' ' VAL . 16.1 mt-10 -72.37 -28.33 62.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.573 HD12 HD21 ' A' ' 95' ' ' LEU . 79.4 mt -42.86 166.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -126.65 101.86 6.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.44 ' NH1' ' HB3' ' A' ' 92' ' ' GLU . 7.0 mmm180 -50.06 -22.27 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -95.34 25.71 4.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.638 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 70.4 t-105 -65.1 119.68 60.78 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 121.575 0.702 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 3.4 2.81 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.315 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.631 ' CA ' HD11 ' A' ' 9' ' ' ILE . . . -98.02 5.65 61.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.465 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.841 ' CE2' HD13 ' A' ' 91' ' ' LEU . 21.5 m-85 -108.58 119.6 39.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.909 0.385 . . . . 0.0 110.939 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.404 ' N ' ' HB2' ' A' ' 87' ' ' ASP . 3.5 m -76.99 -176.33 3.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -51.71 -29.83 19.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.638 ' N ' HD12 ' A' ' 86' ' ' ILE . 3.4 mp -92.24 -56.9 4.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 90' ' ' SER . 19.4 m-20 -36.64 -61.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -39.83 -58.29 1.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -65.76 -21.24 66.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 87' ' ' ASP . 1.2 t -81.66 -20.8 38.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.841 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.14 -45.04 8.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.737 ' N ' HD23 ' A' ' 91' ' ' LEU . 9.2 pt-20 -44.65 -22.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.4 ' N ' ' C ' ' A' ' 91' ' ' LEU . 36.8 t -74.09 -64.71 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.862 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 73.5 t -38.66 -59.15 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.573 HD21 HD12 ' A' ' 76' ' ' LEU . 26.3 mt -50.02 -39.23 40.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 42.5 t -65.65 -35.07 79.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 -75.15 -49.75 18.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.524 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 68.0 mmtt -69.3 -71.9 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.93 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.552 HD12 ' HB3' ' A' ' 95' ' ' LEU . 17.8 mt -56.68 94.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 99' ' ' LEU . 3.2 t-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.0 p -124.67 128.91 49.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 0.0 110.834 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.0 p -174.47 176.58 2.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.91 -166.82 30.36 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.543 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 m 59.17 44.54 15.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.875 0.369 . . . . 0.0 110.852 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.7 m -50.76 108.71 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.4 141.77 7.79 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.2 p -136.59 158.29 44.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.76 0.314 . . . . 0.0 111.157 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 45.6 mm -71.71 -40.34 69.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.6 m -52.65 -45.84 66.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -55.67 -29.92 60.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -70.63 152.89 95.22 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.598 0.713 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.402 ' HG2' ' CG ' ' A' ' 16' ' ' ASP . 53.5 Cg_endo -69.76 133.99 26.91 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.643 2.229 . . . . 0.0 112.336 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.461 ' O ' ' C ' ' A' ' 15' ' ' ARG . 5.9 t80 -42.17 -63.55 0.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 14' ' ' TYR . 17.8 ttp180 -33.37 -54.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.402 ' CG ' ' HG2' ' A' ' 13' ' ' PRO . 0.8 OUTLIER -54.95 -57.92 9.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.816 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.472 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 38.3 mtp180 -49.13 -32.02 9.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.529 HG13 HD11 ' A' ' 32' ' ' LEU . 89.4 t -74.38 -65.68 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.466 HG22 ' CG2' ' A' ' 56' ' ' VAL . 21.8 pt -49.96 -42.58 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.652 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 14.5 m80 -54.84 -27.01 39.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 79.0 mt -89.04 -42.73 11.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.796 HD11 HD23 ' A' ' 53' ' ' LEU . 48.5 mt -64.37 -32.09 73.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.568 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -49.93 -69.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.158 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 69.3 mt -38.54 -45.01 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.976 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.6 pttt -167.23 166.08 15.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.23 137.15 52.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.091 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.457 ' HB2' HD23 ' A' ' 22' ' ' LEU . 11.7 m-85 -125.57 155.47 40.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -95.31 155.86 16.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.583 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -41.94 -55.59 5.95 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.584 0.707 . . . . 0.0 110.871 179.865 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.77 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.72 2.28 . . . . 0.0 112.343 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 32' ' ' LEU . 20.2 tt0 -53.91 -65.34 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.961 HD12 HD21 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -35.07 -45.81 0.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.558 HD21 HD12 ' A' ' 49' ' ' LEU . 14.6 mt -59.05 -56.57 20.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.415 ' O ' ' CD ' ' A' ' 38' ' ' LYS . . . -37.37 -29.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 33' ' ' LEU . 18.6 mmt180 -79.24 -48.28 14.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 17' ' ' ARG . 15.1 mt -73.37 -54.18 8.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.497 ' HA ' HG23 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -42.9 -34.69 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.415 ' CD ' ' O ' ' A' ' 34' ' ' ALA . 20.0 mtpt -50.28 -58.66 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -75.42 -14.06 60.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.95 131.42 3.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.497 HG23 ' HA ' ' A' ' 37' ' ' GLN . 45.0 t -138.44 119.72 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 0.0 111.122 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -66.38 156.7 33.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -70.74 -45.44 64.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.469 ' H ' ' CD ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -56.09 -29.8 61.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -83.19 -37.21 23.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.411 ' HG3' HG12 ' A' ' 41' ' ' VAL . 30.9 mttt -46.1 -41.98 13.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -73.7 -41.54 62.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.8 m -63.46 -31.48 72.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.574 HD13 ' CE ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -45.33 -66.86 0.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.462 ' N ' ' HZ1' ' A' ' 29' ' ' LYS . . . -43.92 -32.44 2.29 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.42 -38.35 34.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.806 0.336 . . . . 0.0 111.144 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.535 ' O ' HG22 ' A' ' 56' ' ' VAL . 76.1 mt -67.68 -42.55 86.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.961 HD21 HD12 ' A' ' 32' ' ' LEU . 13.6 mt -50.3 -35.92 29.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -87.42 -18.04 30.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.428 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 29.0 mm-40 -87.12 -23.76 24.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 52' ' ' ILE . 23.6 m -122.3 -23.94 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.723 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -125.28 176.71 6.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -127.82 128.34 45.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.686 HD23 ' N ' ' A' ' 60' ' ' ASN . 1.3 tt -78.69 133.83 37.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.686 ' N ' HD23 ' A' ' 59' ' ' LEU . 28.0 t30 -112.22 102.06 10.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.1 t -45.19 -36.14 3.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.4 tptp -41.79 -68.45 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -114.54 21.04 14.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 60' ' ' ASN . 18.4 mt 45.29 31.76 0.88 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.6 p -100.33 146.1 27.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.521 ' CZ ' ' HG ' ' A' ' 59' ' ' LEU . 68.8 m-85 -98.17 119.4 36.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.0 p -102.98 125.3 49.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.163 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.568 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -56.03 129.41 39.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.442 ' HB2' HG23 ' A' ' 72' ' ' VAL . 28.9 mttm -51.29 -176.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.433 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 5.3 p-10 -97.35 -44.71 6.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.521 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.8 p90 -64.89 -42.16 95.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.969 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.536 HG11 HD21 ' A' ' 68' ' ' LEU . 64.6 t -50.13 -34.33 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.463 ' CE1' HD13 ' A' ' 68' ' ' LEU . 16.5 m-85 -48.7 -30.7 5.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.409 ' NZ ' ' HB3' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -74.48 -29.09 61.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -72.44 -32.45 66.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.44 HD12 HD21 ' A' ' 95' ' ' LEU . 73.3 mt -44.46 163.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -121.19 104.25 9.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.426 ' NH1' ' HB3' ' A' ' 92' ' ' GLU . 6.9 mmm180 -48.49 -28.77 3.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -90.88 27.54 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.652 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 74.0 t-105 -67.34 121.61 79.47 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.533 0.683 . . . . 0.0 110.939 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -4.56 14.29 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.647 2.231 . . . . 0.0 112.363 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.453 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -86.24 -1.15 86.48 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.926 ' CE2' HD13 ' A' ' 91' ' ' LEU . 23.2 m-85 -108.25 114.13 27.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.91 0.386 . . . . 0.0 110.927 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.4 m -72.92 177.22 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.897 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -44.99 -23.32 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.715 ' N ' HD12 ' A' ' 86' ' ' ILE . 2.6 mp -94.88 -64.26 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 86' ' ' ILE . 1.4 m-20 -33.9 -55.45 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.8 mtp85 -44.42 -56.07 4.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -67.51 -21.16 65.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 m -84.38 -21.84 30.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.797 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.926 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.06 -37.24 12.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.577 ' N ' HD23 ' A' ' 91' ' ' LEU . 7.1 pt-20 -53.7 -18.35 3.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 96' ' ' SER . 8.9 t -78.48 -68.7 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 98.4 t -36.69 -60.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.129 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.44 HD21 HD12 ' A' ' 76' ' ' LEU . 52.4 mt -51.93 -35.07 44.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 93' ' ' SER . 12.0 t -72.34 -26.59 61.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 97' ' ' ARG . 8.1 mtp-105 -90.98 -21.45 21.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -93.23 -60.94 1.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.21 93.75 0.64 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.951 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 43.52 45.48 5.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.35 . . . . 0.0 110.874 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.4 p -108.2 111.54 23.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.92 -154.3 21.46 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.469 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.6 m -83.94 -74.53 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 0.0 110.832 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.7 p -53.39 117.66 3.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.63 -73.53 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.503 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.657 HG22 ' H ' ' A' ' 9' ' ' ILE . 1.0 OUTLIER -131.36 176.17 8.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.732 0.301 . . . . 0.0 111.145 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.657 ' H ' HG22 ' A' ' 8' ' ' THR . 34.9 mm -59.34 -55.48 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.5 p -51.67 -32.04 28.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.415 ' NE2' ' HA ' ' A' ' 11' ' ' GLN . 6.3 mm-40 -70.78 -27.05 63.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -73.16 153.61 90.53 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.612 0.72 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 14' ' ' TYR . 53.4 Cg_endo -69.83 128.3 15.76 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.3 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.501 ' CE2' ' HB3' ' A' ' 45' ' ' ASP . 4.1 t80 -34.36 -65.1 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 14' ' ' TYR . 22.0 ttt-85 -33.7 -58.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.445 ' OD1' ' NH1' ' A' ' 15' ' ' ARG . 0.7 OUTLIER -49.14 -54.05 18.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.49 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 44.4 mtp180 -54.91 -32.43 61.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.42 HG13 HD11 ' A' ' 32' ' ' LEU . 94.4 t -72.18 -62.9 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.469 HG13 ' N ' ' A' ' 20' ' ' HIS . 25.7 pt -54.95 -42.1 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.187 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.767 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 9.5 m80 -56.21 -23.31 34.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.3 mt -90.36 -51.97 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.603 HD11 HD23 ' A' ' 53' ' ' LEU . 13.1 mt -59.3 -30.45 68.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.625 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -48.81 -64.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.421 ' HA ' HD23 ' A' ' 24' ' ' LEU . 12.9 mt -45.75 -45.41 14.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.421 ' HE2' ' CZ ' ' A' ' 27' ' ' TYR . 25.1 pttt -164.82 168.44 17.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.48 139.75 51.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.421 ' CZ ' ' HE2' ' A' ' 25' ' ' LYS . 14.7 m-85 -129.83 156.69 43.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -97.46 149.53 22.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.608 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.3 tptm -36.67 -53.99 1.73 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.544 0.688 . . . . 0.0 110.92 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.608 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.2 Cg_endo -69.77 -49.89 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.384 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -56.93 -64.21 0.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.785 HD12 HD21 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -38.89 -43.75 0.98 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.629 HD21 HD12 ' A' ' 49' ' ' LEU . 9.4 mt -55.96 -63.06 1.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -32.15 -52.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.501 ' HA ' ' CE ' ' A' ' 38' ' ' LYS . 12.9 mmt180 -51.5 -46.34 63.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 33' ' ' LEU . 9.5 mt -76.93 -54.32 6.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.43 -26.73 1.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.501 ' CE ' ' HA ' ' A' ' 35' ' ' ARG . 29.7 mtmt -51.98 -45.91 64.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.01 -27.4 22.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.06 109.49 1.21 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.449 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.4 t -108.42 137.63 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.323 . . . . 0.0 111.137 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -76.4 153.47 35.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -63.79 -51.88 62.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.8 pttt -52.07 -29.52 21.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.501 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 13.1 m-20 -79.45 -35.81 39.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.4 mtpt -57.5 -41.25 80.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -82.97 -29.9 28.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.4 m -89.35 7.8 33.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.629 HD12 HD21 ' A' ' 33' ' ' LEU . 1.0 OUTLIER -74.57 -68.82 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 49' ' ' LEU . . . -35.87 -31.85 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . -72.6 -48.36 40.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 0.0 111.117 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.514 ' O ' HG22 ' A' ' 56' ' ' VAL . 81.9 mt -59.32 -45.14 93.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.785 HD21 HD12 ' A' ' 32' ' ' LEU . 37.3 mt -51.29 -36.9 44.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -86.33 -12.86 48.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.428 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 6.5 mm100 -92.58 -22.72 19.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 52' ' ' ILE . 30.7 m -124.95 -21.82 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.123 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 53' ' ' LEU . . . -126.19 177.35 6.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -129.83 128.31 42.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.787 HD23 ' N ' ' A' ' 60' ' ' ASN . 2.1 tt -79.34 139.19 37.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.787 ' N ' HD23 ' A' ' 59' ' ' LEU . 36.2 t30 -118.37 96.57 5.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m -40.47 -36.6 0.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.44 -65.99 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -117.57 23.08 11.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.0 mt 41.76 37.19 0.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.9 p -106.83 141.2 38.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.51 ' OH ' HD12 ' A' ' 59' ' ' LEU . 48.1 m-85 -93.17 122.76 35.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.932 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.0 p -105.53 124.76 50.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.125 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.625 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -57.75 127.59 32.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.428 ' HE3' ' C ' ' A' ' 55' ' ' GLN . 31.5 mttm -49.7 -179.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.569 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 14.2 p-10 -97.49 -39.13 9.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.737 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.5 p90 -67.63 -38.47 83.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.737 HG23 ' CE1' ' A' ' 71' ' ' TYR . 70.5 t -56.85 -30.36 32.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.569 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 14.6 m-85 -50.7 -29.21 10.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -77.72 -32.2 52.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -70.87 -29.51 65.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 83.7 mt -47.17 171.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -138.61 114.25 9.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 85.7 mtm-85 -58.87 -25.99 63.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -76.06 -0.18 20.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.767 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 70.7 t-105 -54.4 121.86 34.54 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.544 0.688 . . . . 0.0 110.913 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.424 ' HG2' ' CD1' ' A' ' 9' ' ' ILE . 53.7 Cg_endo -69.78 -25.01 28.95 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -58.81 -17.99 37.49 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.445 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.712 ' CE2' HD13 ' A' ' 91' ' ' LEU . 25.4 m-85 -91.14 116.89 29.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.912 0.387 . . . . 0.0 110.881 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.458 ' N ' ' HB2' ' A' ' 87' ' ' ASP . 41.1 m -71.61 -176.14 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -55.46 -24.96 33.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.736 ' N ' HD12 ' A' ' 86' ' ' ILE . 1.9 mp -96.29 -43.25 12.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.458 ' HB2' ' N ' ' A' ' 84' ' ' SER . 4.8 m-20 -51.94 -56.57 13.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -44.04 -49.96 8.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -73.06 -23.18 60.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 t -80.67 -19.0 46.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.844 HD23 ' N ' ' A' ' 92' ' ' GLU . 0.1 OUTLIER -92.07 -49.44 6.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.918 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.844 ' N ' HD23 ' A' ' 91' ' ' LEU . 10.8 pt-20 -41.13 -29.2 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.6 t -65.89 -67.62 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 97' ' ' ARG . 88.6 t -39.17 -64.36 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 57.2 mt -40.53 -40.17 1.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.9 t -68.98 -40.59 78.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 94' ' ' VAL . 9.4 mmm180 -65.58 -35.96 82.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -85.67 -66.32 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.0 mt -65.76 92.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.409 ' C ' ' OD1' ' A' ' 100' ' ' ASN . 30.0 t-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 m -137.11 172.11 13.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 110.849 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 t -92.4 -43.12 9.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.31 117.87 3.58 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.426 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.9 m -79.5 149.05 31.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.89 0.376 . . . . 0.0 110.821 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -108.16 149.37 28.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.46 76.89 0.49 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.8 p -100.62 163.09 12.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.753 0.311 . . . . 0.0 111.128 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.403 HD13 ' HG2' ' A' ' 81' ' ' PRO . 10.7 mm -87.15 -35.74 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 t -55.83 -58.77 6.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -42.13 -35.39 0.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.947 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -69.4 147.34 96.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.59 0.71 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 146.51 60.53 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.249 . . . . 0.0 112.339 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.429 ' O ' ' C ' ' A' ' 15' ' ' ARG . 3.2 t80 -42.75 -64.09 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 14' ' ' TYR . 12.0 ttp180 -35.77 -63.75 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -43.41 -56.5 3.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.45 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 26.3 mtp180 -53.38 -33.56 54.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.701 HG13 HD11 ' A' ' 32' ' ' LEU . 69.7 t -75.0 -63.94 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.502 HG22 HG21 ' A' ' 56' ' ' VAL . 8.7 pt -50.23 -39.38 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.565 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 12.6 m80 -61.86 -24.93 67.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 76.1 mt -89.63 -44.03 10.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.626 HD11 HD23 ' A' ' 53' ' ' LEU . 15.5 mt -65.44 -30.25 71.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.972 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.654 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -49.73 -61.18 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.066 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.591 HD11 ' OD2' ' A' ' 87' ' ' ASP . 15.3 mt -46.61 -47.43 19.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 pttt -163.62 169.88 17.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.1 138.49 49.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.432 ' HB2' HD23 ' A' ' 22' ' ' LEU . 11.8 m-85 -127.9 155.96 43.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.82 149.55 22.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.607 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.2 tptm -37.52 -54.08 2.24 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.557 0.694 . . . . 0.0 110.904 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.607 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.4 Cg_endo -69.78 -51.1 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.656 2.238 . . . . 0.0 112.366 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 32' ' ' LEU . 36.4 tt0 -55.39 -64.13 0.94 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.788 HD12 HD21 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -36.27 -44.18 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.94 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.554 HD21 HD12 ' A' ' 49' ' ' LEU . 16.1 mt -60.45 -56.34 22.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -37.73 -27.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 33' ' ' LEU . 21.8 mmt180 -82.73 -48.61 10.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 38' ' ' LYS . 12.2 mt -73.23 -53.53 10.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.442 ' NE2' ' HB ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -38.57 -27.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 36' ' ' LEU . 18.8 mtpp -65.18 -52.97 51.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -68.96 -16.13 63.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.91 102.13 2.23 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.442 ' HB ' ' NE2' ' A' ' 37' ' ' GLN . 15.5 t -106.75 149.52 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.36 . . . . 0.0 111.099 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -96.94 130.35 44.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -52.24 -39.24 60.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.8 pttt -64.02 -31.32 72.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -84.01 -33.23 24.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -43.63 -40.36 4.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -77.13 -40.25 46.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.1 p -64.85 -28.74 69.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.554 HD12 HD21 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -45.03 -60.67 1.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -43.96 -40.91 5.77 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.505 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.66 -46.16 76.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.767 0.318 . . . . 0.0 111.089 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.475 ' O ' ' N ' ' A' ' 55' ' ' GLN . 70.5 mt -60.56 -49.32 84.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.179 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.788 HD21 HD12 ' A' ' 32' ' ' LEU . 33.6 mt -43.73 -33.08 1.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -88.87 -23.69 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 52' ' ' ILE . 23.5 mt-30 -79.69 -23.73 42.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.502 HG21 HG22 ' A' ' 19' ' ' ILE . 36.0 m -124.37 -23.04 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 53' ' ' LEU . . . -125.11 177.38 6.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -129.65 130.06 45.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.693 HD23 ' N ' ' A' ' 60' ' ' ASN . 1.5 tt -78.61 137.45 37.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.693 ' N ' HD23 ' A' ' 59' ' ' LEU . 2.4 t-20 -117.53 95.52 4.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.5 m -39.37 -35.18 0.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -41.06 -68.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -117.33 27.46 9.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 21.9 mt 39.47 40.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 86.8 p -110.21 145.25 37.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.819 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.658 ' CE2' HD13 ' A' ' 53' ' ' LEU . 48.4 m-85 -95.86 122.68 38.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.2 p -104.68 124.65 49.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.654 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -58.07 128.42 37.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.42 ' HE3' ' C ' ' A' ' 55' ' ' GLN . 30.3 mttm -51.07 -178.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.543 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 3.6 t0 -97.25 -39.42 9.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.726 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.5 p90 -67.3 -42.15 84.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.883 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.726 HG23 ' CE1' ' A' ' 71' ' ' TYR . 66.0 t -51.87 -32.98 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.555 ' CE2' ' HG3' ' A' ' 98' ' ' LYS . 15.6 m-85 -48.42 -32.86 8.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -73.88 -30.6 62.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -73.99 -25.16 59.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.435 HD23 HG13 ' A' ' 19' ' ' ILE . 69.8 mt -50.23 178.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -135.99 120.42 18.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.6 mtm180 -63.57 -28.13 69.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -91.15 27.45 1.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.565 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 74.2 t-105 -70.39 120.88 81.31 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.552 0.691 . . . . 0.0 110.949 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.403 ' HG2' HD13 ' A' ' 9' ' ' ILE . 54.1 Cg_endo -69.76 -1.35 8.32 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.298 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.46 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -87.93 -8.31 72.85 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.507 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.86 ' CE2' HD13 ' A' ' 91' ' ' LEU . 25.0 m-85 -101.61 114.86 29.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.0 110.934 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.5 m -67.58 177.26 2.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -47.8 -28.23 2.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.569 ' N ' HD12 ' A' ' 86' ' ' ILE . 3.8 mp -90.1 -56.78 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.168 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.591 ' OD2' HD11 ' A' ' 24' ' ' LEU . 4.4 m-20 -39.4 -56.67 1.54 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.828 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -43.13 -49.75 6.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -76.49 -17.06 59.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 87' ' ' ASP . 1.8 t -87.99 -18.93 27.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.86 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.01 -32.77 15.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.488 ' N ' HD23 ' A' ' 91' ' ' LEU . 15.7 pt-20 -58.04 -13.26 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.3 t -82.62 -61.74 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 97' ' ' ARG . 69.7 t -43.34 -61.88 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.149 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.401 ' HB3' HD12 ' A' ' 99' ' ' LEU . 36.5 mt -42.8 -44.27 4.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.7 t -65.62 -33.34 75.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 94' ' ' VAL . 11.2 mmm180 -72.83 -37.36 67.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.555 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 51.9 mmtt -86.86 -67.42 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.401 HD12 ' HB3' ' A' ' 95' ' ' LEU . 34.2 mt -61.49 95.38 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.932 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -111.09 166.72 10.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.805 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.9 p -169.5 114.9 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.48 -112.23 2.81 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.511 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t 68.35 46.78 1.03 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.887 0.375 . . . . 0.0 110.878 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.1 m -138.34 142.44 39.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.35 81.2 1.51 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.53 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.594 HG22 ' H ' ' A' ' 9' ' ' ILE . 0.4 OUTLIER -111.74 174.7 5.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.76 0.314 . . . . 0.0 111.144 -179.838 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.594 ' H ' HG22 ' A' ' 8' ' ' THR . 19.0 mm -60.23 -54.94 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.406 ' HA ' ' NH1' ' A' ' 17' ' ' ARG . 87.6 p -51.85 -36.99 50.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -64.02 -33.14 75.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.433 ' HG3' ' CZ3' ' A' ' 80' ' ' TRP . 39.8 mmt180 -67.96 153.19 95.66 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.628 0.727 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 136.34 32.76 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.688 2.259 . . . . 0.0 112.377 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.467 ' CD2' ' HB3' ' A' ' 45' ' ' ASP . 5.6 t80 -40.24 -64.2 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.971 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 14' ' ' TYR . 18.2 ttm180 -33.73 -54.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.76 -54.13 48.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.406 ' NH1' ' HA ' ' A' ' 10' ' ' SER . 55.7 mtp180 -53.44 -28.72 31.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 69.3 t -77.81 -63.24 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.6 HG22 HG21 ' A' ' 56' ' ' VAL . 9.5 pt -53.88 -45.2 62.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.564 ' CD2' ' CG ' ' A' ' 80' ' ' TRP . 14.0 m80 -53.6 -29.51 38.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.6 mt -82.72 -49.52 9.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.822 HD11 HD23 ' A' ' 53' ' ' LEU . 46.4 mt -60.42 -28.88 68.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.65 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -50.97 -66.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.3 mt -41.86 -51.49 4.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.6 pttt -159.94 170.15 21.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.89 134.41 48.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.056 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.582 ' HB2' HD23 ' A' ' 22' ' ' LEU . 12.6 m-85 -125.32 153.08 43.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 29' ' ' LYS . 25.0 mttt -96.67 148.59 22.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.59 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.2 tptm -34.73 -54.99 0.95 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.6 0.714 . . . . 0.0 110.876 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.59 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.8 Cg_endo -69.7 -50.76 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.329 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 32' ' ' LEU . 10.5 tt0 -55.22 -63.96 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.784 HD12 HD21 ' A' ' 53' ' ' LEU . 0.9 OUTLIER -37.74 -44.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.928 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 36' ' ' LEU . 13.6 mt -58.8 -57.71 11.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -32.8 -39.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 33' ' ' LEU . 16.3 mmm180 -70.97 -49.15 48.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.522 ' C ' HG23 ' A' ' 41' ' ' VAL . 8.6 mt -67.85 -54.59 17.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.438 ' NE2' ' HB ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -50.04 -38.47 37.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.957 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -49.8 -48.5 50.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -84.6 -19.53 32.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.41 119.21 2.22 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.481 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.522 HG23 ' C ' ' A' ' 36' ' ' LEU . 18.4 t -127.63 132.24 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.338 . . . . 0.0 111.137 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -86.69 131.85 34.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -43.37 -53.33 5.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.6 pttt -46.99 -35.44 6.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.467 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 15.8 m-20 -84.09 -42.3 16.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.824 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -26.56 68.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -80.27 -35.08 36.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 m -93.69 12.27 26.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.459 HD12 HD21 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -66.1 -66.33 0.56 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 49' ' ' LEU . . . -35.95 -35.13 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.486 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.42 -50.77 28.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.751 0.31 . . . . 0.0 111.082 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.506 ' O ' HG22 ' A' ' 56' ' ' VAL . 86.9 mt -55.64 -44.52 77.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.163 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.822 HD23 HD11 ' A' ' 22' ' ' LEU . 15.0 mt -51.69 -37.21 49.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.52 -13.22 49.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -93.48 -22.61 18.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.6 HG21 HG22 ' A' ' 19' ' ' ILE . 19.9 m -122.51 -26.96 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.787 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -124.2 177.34 5.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -128.41 130.97 48.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.806 HD12 ' OH ' ' A' ' 66' ' ' TYR . 2.9 tt -78.7 129.19 34.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 62' ' ' LYS . 3.4 t-20 -106.26 85.6 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 60' ' ' ASN . 35.1 t -34.25 -34.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 60' ' ' ASN . 32.3 tptt -43.27 -64.34 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -116.22 17.33 15.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.812 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.554 HD23 HD21 ' A' ' 59' ' ' LEU . 8.1 mt 48.8 35.0 5.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.8 p -108.47 137.49 46.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.806 ' OH ' HD12 ' A' ' 59' ' ' LEU . 46.7 m-85 -87.96 123.1 32.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.911 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 47.7 p -106.52 124.49 49.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.65 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.65 126.51 25.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.901 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.428 ' HB2' HG23 ' A' ' 72' ' ' VAL . 34.0 mttt -49.82 -179.05 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.497 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 21.6 m-20 -94.88 -42.94 8.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.558 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.7 p90 -64.14 -45.15 89.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.558 HG23 ' CE1' ' A' ' 71' ' ' TYR . 60.0 t -48.27 -38.31 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.497 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 14.5 m-85 -43.58 -37.59 2.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.436 ' NZ ' ' HB2' ' A' ' 71' ' ' TYR . 5.3 ptpp? -69.78 -32.88 71.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 72' ' ' VAL . 30.4 mt-10 -69.35 -30.34 68.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.623 HD12 HD21 ' A' ' 95' ' ' LEU . 93.2 mt -41.31 162.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 80' ' ' TRP . 27.2 mt-30 -119.01 100.26 7.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.933 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.5 mtm-85 -45.82 -22.99 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -96.3 27.22 3.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.568 ' HB3' ' CD2' ' A' ' 83' ' ' TYR . 69.7 t-105 -69.12 115.5 32.51 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.568 0.699 . . . . 0.0 110.91 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -1.24 8.12 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.732 2.288 . . . . 0.0 112.328 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.462 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -92.72 17.16 58.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.818 ' CE2' HD13 ' A' ' 91' ' ' LEU . 22.0 m-85 -119.91 114.04 21.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.865 0.364 . . . . 0.0 110.939 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 70.0 m -65.75 167.89 8.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -42.88 -25.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 10.5 mm -92.81 -58.18 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -39.85 -54.52 2.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -45.42 -55.09 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -67.94 -21.94 65.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.5 m -82.94 -21.46 34.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.818 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.02 -42.63 9.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.948 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.699 ' N ' HD23 ' A' ' 91' ' ' LEU . 7.1 pt-20 -47.03 -22.76 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 96' ' ' SER . 35.9 t -80.61 -60.15 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.803 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 84.4 t -39.92 -47.44 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.164 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.623 HD21 HD12 ' A' ' 76' ' ' LEU . 30.8 mt -61.11 -35.56 77.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 93' ' ' SER . 12.3 t -71.57 -39.73 70.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.2 mtp85 -68.59 -50.43 51.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -64.01 -67.85 0.4 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.1 mt -60.02 94.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.5 p30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.88 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -86.56 159.94 19.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.369 . . . . 0.0 110.848 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.7 t -159.55 156.99 29.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.48 -142.22 13.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -146.22 128.53 15.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.829 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 m -68.19 140.72 56.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.06 -167.25 41.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.456 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.2 p -132.66 175.4 9.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.787 0.327 . . . . 0.0 111.159 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.3 mm -95.91 -48.88 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.9 t -47.53 -45.55 26.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -54.02 -32.61 54.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 46.1 mmt-85 -71.74 152.09 93.39 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.574 0.702 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.41 ' HG2' ' CG ' ' A' ' 16' ' ' ASP . 53.3 Cg_endo -69.75 142.11 47.11 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.729 2.286 . . . . 0.0 112.327 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.459 ' O ' ' C ' ' A' ' 15' ' ' ARG . 5.9 t80 -47.53 -64.75 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 14' ' ' TYR . 14.0 ttm180 -33.58 -50.01 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.41 ' CG ' ' HG2' ' A' ' 13' ' ' PRO . 59.8 m-20 -58.48 -59.44 5.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -49.59 -28.86 6.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.599 HG13 HD11 ' A' ' 32' ' ' LEU . 48.2 t -76.31 -62.13 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.486 HG13 ' N ' ' A' ' 20' ' ' HIS . 19.9 pt -53.96 -45.67 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.559 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 23.4 m80 -52.88 -28.55 23.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.2 mt -86.05 -42.85 13.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.948 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.797 HD13 ' HB2' ' A' ' 57' ' ' ALA . 62.1 mt -64.87 -32.15 73.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.976 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.53 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -51.35 -69.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.099 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.545 HD11 ' HB3' ' A' ' 87' ' ' ASP . 18.9 mt -37.7 -43.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.8 pttt -170.1 167.71 8.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.459 ' HB2' HG22 ' A' ' 67' ' ' THR . . . -69.34 135.82 50.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.605 ' HB2' HD23 ' A' ' 22' ' ' LEU . 12.4 m-85 -124.81 153.13 42.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 29' ' ' LYS . 1.1 mptt -95.38 150.3 20.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.59 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -36.96 -54.97 1.7 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.625 0.726 . . . . 0.0 110.897 179.892 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.59 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.5 Cg_endo -69.84 -50.57 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.693 2.262 . . . . 0.0 112.326 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 32' ' ' LEU . 19.9 tt0 -53.74 -65.01 0.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.908 HD12 HD21 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -36.9 -47.3 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 36' ' ' LEU . 12.6 mt -55.03 -57.61 11.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -34.58 -39.35 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.081 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -71.23 -44.94 64.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 33' ' ' LEU . 11.2 mt -73.52 -57.31 4.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.49 -30.14 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.8 mttt -56.21 -55.31 34.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -75.35 -26.47 58.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.61 119.94 2.09 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.1 t -122.78 139.2 50.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.828 0.347 . . . . 0.0 111.111 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -87.63 125.09 34.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -46.57 -43.22 17.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -61.3 -28.53 69.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -84.09 -30.25 26.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.817 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.7 mtmt -50.76 -33.23 22.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -76.77 -35.73 57.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 99.2 p -73.05 -31.88 64.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.552 HD13 ' CE ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -44.96 -58.69 2.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.12 -37.89 38.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.47 -41.78 68.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.747 0.308 . . . . 0.0 111.086 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' GLN . 49.5 mt -63.56 -47.55 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.908 HD21 HD12 ' A' ' 32' ' ' LEU . 18.8 mt -45.32 -37.59 4.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -85.81 -19.41 30.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 52' ' ' ILE . 15.2 mm100 -84.91 -24.03 28.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 52' ' ' ILE . 32.5 m -123.36 -23.37 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.13 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.797 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -123.36 177.1 5.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -131.54 127.12 36.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.825 HD23 ' N ' ' A' ' 60' ' ' ASN . 2.6 tt -81.39 132.75 35.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.825 ' N ' HD23 ' A' ' 59' ' ' LEU . 4.8 t-20 -109.3 94.27 4.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 60' ' ' ASN . 58.4 m -35.6 -35.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 60' ' ' ASN . 26.0 tttt -41.67 -68.65 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -111.99 8.4 20.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.68 ' HA ' HD21 ' A' ' 59' ' ' LEU . 26.9 mt 57.44 27.56 14.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 96.6 p -97.45 139.75 32.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.56 ' OH ' HD12 ' A' ' 59' ' ' LEU . 67.7 m-85 -91.78 117.04 29.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.459 HG22 ' HB2' ' A' ' 26' ' ' ALA . 42.2 p -102.73 125.02 49.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.14 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.53 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -54.77 130.53 41.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.43 ' HB2' HG23 ' A' ' 72' ' ' VAL . 28.2 mttm -52.56 -175.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.476 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 63.9 m-20 -97.36 -44.45 6.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.528 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.9 p90 -64.9 -43.4 93.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.528 HG23 ' CE1' ' A' ' 71' ' ' TYR . 58.0 t -49.08 -33.48 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.122 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.517 ' CE1' HD13 ' A' ' 68' ' ' LEU . 16.1 m-85 -49.4 -31.59 9.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -74.9 -28.03 60.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -74.55 -28.58 61.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.449 HD12 HD21 ' A' ' 95' ' ' LEU . 76.2 mt -46.65 173.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.952 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.401 ' O ' ' N ' ' A' ' 80' ' ' TRP . 49.8 mt-30 -129.9 103.58 6.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.0 mmm180 -48.04 -25.53 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -91.47 25.63 2.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.559 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 70.5 t-105 -67.77 117.57 49.37 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.54 0.686 . . . . 0.0 110.886 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -11.64 31.24 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.96 -4.42 82.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.516 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.916 ' CE2' HD13 ' A' ' 91' ' ' LEU . 23.9 m-85 -103.09 114.04 28.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 110.97 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.9 m -71.74 -177.09 1.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -50.92 -22.82 2.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.673 ' N ' HD12 ' A' ' 86' ' ' ILE . 2.9 mp -95.23 -64.13 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.545 ' HB3' HD11 ' A' ' 24' ' ' LEU . 9.0 m-20 -34.57 -55.84 0.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.409 ' HB3' ' NH1' ' A' ' 88' ' ' ARG . 9.3 mtp-105 -44.68 -57.16 3.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -65.52 -21.15 66.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 m -83.55 -22.95 32.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.916 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.01 -45.63 8.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.925 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.787 ' N ' HD23 ' A' ' 91' ' ' LEU . 17.8 pt-20 -41.95 -34.75 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.83 -52.66 16.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.8 t -46.07 -57.45 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.093 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.487 ' HB3' HD12 ' A' ' 99' ' ' LEU . 31.4 mt -56.24 -31.34 63.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 44.0 t -72.49 -42.58 64.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -72.76 -28.4 62.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.808 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -85.75 -62.69 1.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.487 HD12 ' HB3' ' A' ' 95' ' ' LEU . 8.6 mt -71.04 96.51 1.33 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.8 m120 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.893 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 t -58.63 -56.19 25.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 110.791 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 t 50.21 43.6 26.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.2 122.11 0.99 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.521 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -93.98 85.9 4.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.376 . . . . 0.0 110.854 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 m -75.9 121.33 22.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.79 74.32 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.9 p -103.54 167.41 9.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.761 0.315 . . . . 0.0 111.161 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.434 HD13 ' HG2' ' A' ' 81' ' ' PRO . 17.0 mm -79.0 -46.02 23.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.8 t -48.74 -57.1 6.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.916 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -45.67 -36.64 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.8 mmt-85 -68.2 152.34 96.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.716 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.423 ' HG2' ' CG ' ' A' ' 16' ' ' ASP . 54.2 Cg_endo -69.75 149.33 66.83 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.388 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.443 ' O ' ' C ' ' A' ' 15' ' ' ARG . 4.4 t80 -52.47 -64.64 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 14' ' ' TYR . 7.5 ttp180 -33.85 -57.68 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.423 ' CG ' ' HG2' ' A' ' 13' ' ' PRO . 6.4 m-20 -46.33 -63.02 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 -49.13 -35.29 16.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.484 HG13 HD11 ' A' ' 32' ' ' LEU . 86.0 t -69.86 -63.16 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.523 HG22 ' HB ' ' A' ' 56' ' ' VAL . 50.6 pt -52.69 -37.53 25.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.522 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 15.0 m80 -60.75 -40.92 94.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.7 mt -72.04 -43.9 64.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.728 HD11 HD23 ' A' ' 53' ' ' LEU . 85.9 mt -67.12 -28.66 68.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.768 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -51.07 -70.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.06 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 24' ' ' LEU . 11.8 mt -41.01 -49.91 3.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.417 ' HE2' ' CE1' ' A' ' 27' ' ' TYR . 21.7 pttt -158.77 171.37 20.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.75 138.46 42.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.659 ' HB2' HD23 ' A' ' 22' ' ' LEU . 13.2 m-85 -127.1 151.98 47.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 29' ' ' LYS . 19.0 mttt -93.25 148.75 21.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.598 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 3.3 tptm -35.51 -54.48 1.22 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.539 0.685 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.4 Cg_endo -69.75 -50.93 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.341 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 32' ' ' LEU . 10.8 tp10 -55.14 -63.68 1.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.766 HD12 HD21 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -38.37 -45.16 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.538 HD21 HD12 ' A' ' 49' ' ' LEU . 12.3 mt -57.01 -59.9 4.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -33.02 -42.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 72.7 mmt-85 -66.99 -47.72 70.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 33' ' ' LEU . 70.2 mt -71.89 -56.82 5.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.02 -37.82 1.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -48.84 -57.46 6.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.45 -20.77 58.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.1 126.33 2.87 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.456 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.2 t -130.84 126.83 60.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.362 . . . . 0.0 111.106 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' A' ' 43' ' ' GLN . 39.8 t-20 -70.46 146.24 50.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.403 ' N ' ' OD1' ' A' ' 42' ' ' ASN . 19.9 tt0 -62.17 -51.32 68.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.27 -18.32 6.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.868 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.49 -32.99 13.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.4 mttt -48.74 -36.41 16.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -87.46 -37.32 17.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.4 p -69.49 -8.54 47.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.538 HD12 HD21 ' A' ' 33' ' ' LEU . 0.3 OUTLIER -64.64 -61.64 2.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -43.74 -35.41 3.14 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.546 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.15 -52.23 25.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.744 0.306 . . . . 0.0 111.095 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.518 ' O ' HG22 ' A' ' 56' ' ' VAL . 47.4 mt -56.73 -45.7 82.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.766 HD21 HD12 ' A' ' 32' ' ' LEU . 24.1 mt -46.79 -34.62 5.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -88.74 -19.86 25.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.445 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 34.4 mt-30 -84.1 -22.58 31.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.523 ' HB ' HG22 ' A' ' 19' ' ' ILE . 26.8 m -125.99 -22.01 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.081 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.675 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -128.09 176.71 7.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -133.47 129.74 37.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.895 HD12 ' CZ ' ' A' ' 66' ' ' TYR . 4.2 tt -78.55 131.18 36.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.579 ' N ' HD23 ' A' ' 59' ' ' LEU . 9.5 t-20 -105.57 93.34 4.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.2 m -38.77 -27.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 60' ' ' ASN . 7.9 tptm -53.56 -65.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -110.54 18.85 19.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.8 mt 44.93 25.04 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 89.0 p -102.78 140.66 36.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.895 ' CZ ' HD12 ' A' ' 59' ' ' LEU . 62.3 m-85 -87.46 122.56 31.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 36.3 p -104.43 124.98 50.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.156 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.768 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.17 131.09 44.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.464 ' HD3' ' CE2' ' A' ' 71' ' ' TYR . 30.0 mttm -55.23 -175.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.498 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 7.3 t70 -91.97 -66.72 0.9 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.572 ' CD1' ' N ' ' A' ' 72' ' ' VAL . 43.9 p90 -46.68 -48.68 20.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.572 ' N ' ' CD1' ' A' ' 71' ' ' TYR . 61.5 t -42.21 -27.87 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.171 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.498 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 19.5 m-85 -55.89 -42.87 76.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 71' ' ' TYR . 4.9 ptpt -72.97 -2.46 21.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -99.2 -19.29 17.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.484 HD12 HD21 ' A' ' 95' ' ' LEU . 19.1 mt -61.11 -175.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 80' ' ' TRP . 20.1 mm-40 -137.73 120.64 16.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.36 -37.27 86.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -82.26 17.94 1.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.577 ' CE3' ' HD2' ' A' ' 81' ' ' PRO . 74.0 t-105 -57.77 127.35 78.54 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.586 0.707 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.577 ' HD2' ' CE3' ' A' ' 80' ' ' TRP . 53.7 Cg_endo -69.84 3.57 2.74 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.697 2.265 . . . . 0.0 112.323 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.466 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -98.5 -0.83 57.91 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.526 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.897 ' CE2' HD13 ' A' ' 91' ' ' LEU . 23.4 m-85 -113.51 118.54 34.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.869 0.366 . . . . 0.0 110.961 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.7 m -72.1 -178.64 2.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.836 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -48.82 -24.6 1.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.455 ' O ' ' C ' ' A' ' 87' ' ' ASP . 5.4 mp -95.34 -64.49 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 86' ' ' ILE . 83.8 m-20 -33.89 -53.81 0.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.461 ' N ' ' HB3' ' A' ' 83' ' ' TYR . 60.6 mtp180 -45.32 -49.88 12.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -75.92 -19.4 58.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.864 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.7 t -83.53 -23.17 32.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.897 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -88.04 -52.59 5.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.887 ' N ' HD23 ' A' ' 91' ' ' LEU . 7.8 pt-20 -43.11 -23.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.42 ' N ' ' C ' ' A' ' 91' ' ' LEU . 22.9 t -68.7 -54.96 13.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 92.0 t -54.25 -53.66 27.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.484 HD21 HD12 ' A' ' 76' ' ' LEU . 30.6 mt -51.93 -34.89 43.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 34.8 t -70.62 -52.19 23.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 -60.35 -53.17 60.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -56.19 -60.47 3.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 46.1 mt -62.21 97.7 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 15.2 p30 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.947 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.6 p -70.91 -47.73 57.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 0.0 110.891 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.4 p -152.09 127.24 9.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.03 110.18 0.41 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.469 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.7 t -127.2 142.6 51.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.901 0.381 . . . . 0.0 110.834 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m -115.71 94.16 4.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.09 113.21 4.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.463 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 58.4 p -101.45 169.52 8.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.78 0.324 . . . . 0.0 111.14 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.3 mm -89.84 -36.0 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.9 t -59.31 -57.11 14.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -42.11 -33.81 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -69.12 151.69 97.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.585 0.707 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 139.12 39.41 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.245 . . . . 0.0 112.37 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.452 ' O ' ' C ' ' A' ' 15' ' ' ARG . 3.7 t80 -44.58 -61.33 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.488 ' HA ' HG21 ' A' ' 52' ' ' ILE . 11.5 ttm105 -33.68 -64.52 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -49.4 -53.05 24.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -51.56 -30.9 22.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.416 HG13 HD11 ' A' ' 32' ' ' LEU . 90.1 t -78.61 -65.7 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.524 HG22 HG21 ' A' ' 56' ' ' VAL . 8.2 pt -48.41 -46.46 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.742 ' CD2' ' CG ' ' A' ' 80' ' ' TRP . 12.8 m80 -51.45 -27.17 9.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.83 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.8 mt -87.25 -48.59 7.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.718 HD13 ' HB2' ' A' ' 57' ' ' ALA . 23.5 mt -60.84 -30.68 70.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.7 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -48.94 -64.44 0.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.6 mt -43.31 -52.71 5.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 22' ' ' LEU . 37.3 pttt -157.24 171.72 19.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.54 136.78 47.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.597 ' HB2' HD23 ' A' ' 22' ' ' LEU . 14.6 m-85 -127.79 150.34 49.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -94.18 162.8 13.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.71 ' CE ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -46.72 -54.57 18.6 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.621 0.724 . . . . 0.0 110.903 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.7 Cg_endo -69.76 -50.76 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.653 2.235 . . . . 0.0 112.374 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -55.7 -63.21 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.807 HD12 HD21 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -40.61 -43.55 1.93 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 36' ' ' LEU . 10.0 mt -56.4 -63.16 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -31.87 -52.91 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.498 ' HA ' ' CE ' ' A' ' 38' ' ' LYS . 9.2 mmm180 -52.97 -46.8 68.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 33' ' ' LEU . 24.3 mt -73.69 -55.09 6.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.474 ' NE2' ' HB ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -49.43 -29.15 6.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.878 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.498 ' CE ' ' HA ' ' A' ' 35' ' ' ARG . 19.6 mtmt -53.49 -34.77 59.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.39 -6.26 23.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.29 120.77 3.86 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.487 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.474 ' HB ' ' NE2' ' A' ' 37' ' ' GLN . 19.3 t -126.35 120.63 57.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 0.0 111.117 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -69.32 146.88 51.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -60.88 -46.49 90.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -51.4 -44.07 62.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -80.11 -22.57 42.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.9 ttpp -56.92 -52.59 64.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -66.04 -37.41 85.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 60.0 m -64.05 -28.18 69.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.71 HD13 ' CE ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -44.66 -61.42 1.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.05 -33.34 6.92 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.493 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.8 -41.38 60.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.322 . . . . 0.0 111.073 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.604 ' O ' HG22 ' A' ' 56' ' ' VAL . 84.7 mt -67.48 -41.55 86.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.807 HD21 HD12 ' A' ' 32' ' ' LEU . 12.7 mt -52.0 -35.07 45.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -89.41 -15.37 33.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -90.84 -24.22 20.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 52' ' ' ILE . 21.3 m -119.94 -28.97 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.718 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -122.29 177.17 5.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.099 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -129.16 129.8 45.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.709 HD23 ' N ' ' A' ' 60' ' ' ASN . 1.5 tt -79.05 133.87 36.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.709 ' N ' HD23 ' A' ' 59' ' ' LEU . 3.7 t-20 -113.45 102.22 10.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.0 m -46.04 -29.69 1.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -46.98 -66.6 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -118.37 22.25 12.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.8 mt 45.39 31.44 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.6 p -102.92 136.28 43.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.519 ' CZ ' ' HG ' ' A' ' 59' ' ' LEU . 80.5 m-85 -89.32 120.32 30.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.933 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.3 p -102.29 124.75 48.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.136 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.7 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -54.85 127.86 30.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -51.58 -174.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.54 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 9.5 p-10 -95.87 -60.41 1.65 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.899 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.493 ' CG ' ' N ' ' A' ' 72' ' ' VAL . 1.8 p90 -50.43 -44.29 55.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.581 HG11 HD21 ' A' ' 68' ' ' LEU . 97.1 t -46.31 -37.47 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.54 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 25.8 m-85 -46.88 -33.94 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -70.99 -31.65 68.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -68.92 -36.94 78.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.458 HD12 HD21 ' A' ' 95' ' ' LEU . 81.3 mt -40.99 151.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 80' ' ' TRP . 36.6 mt-30 -111.38 105.53 14.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -45.82 -24.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -94.51 27.26 3.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.742 ' CG ' ' CD2' ' A' ' 20' ' ' HIS . 68.2 t-105 -68.24 113.38 14.87 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.547 0.689 . . . . 0.0 110.953 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 1.88 4.04 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.653 2.236 . . . . 0.0 112.38 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.451 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -96.75 22.13 42.11 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.803 ' CE2' HD13 ' A' ' 91' ' ' LEU . 15.5 m-85 -121.65 120.47 34.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.871 0.367 . . . . 0.0 110.946 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 86' ' ' ILE . 59.3 m -66.04 161.38 21.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -39.92 -29.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.441 ' N ' HD12 ' A' ' 86' ' ' ILE . 4.6 mp -91.88 -52.78 9.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.4 ' HB2' ' N ' ' A' ' 84' ' ' SER . 64.7 m-20 -41.02 -56.75 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -43.71 -57.5 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -65.29 -22.15 66.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 m -83.54 -16.54 45.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.813 HD23 ' N ' ' A' ' 92' ' ' GLU . 0.1 OUTLIER -91.98 -48.17 6.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.813 ' N ' HD23 ' A' ' 91' ' ' LEU . 9.9 pt-20 -43.28 -23.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 91' ' ' LEU . 29.1 t -75.36 -58.61 3.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 70.9 t -44.16 -51.5 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.074 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.521 ' HB3' HD12 ' A' ' 99' ' ' LEU . 21.1 mt -60.21 -29.48 68.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.3 t -73.49 -37.91 65.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 97' ' ' ARG . 5.3 mtp-105 -77.24 -44.25 30.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -70.96 -65.62 0.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.521 HD12 ' HB3' ' A' ' 95' ' ' LEU . 11.3 mt -71.44 93.94 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.905 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 m -41.64 148.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 0.0 110.874 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -51.72 104.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.21 79.39 0.31 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.481 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.7 p -131.61 120.1 22.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.862 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.6 p -53.6 133.2 41.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.34 -156.91 27.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.455 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.9 p -141.23 167.82 21.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.75 0.31 . . . . 0.0 111.148 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.797 HG22 ' HD3' ' A' ' 17' ' ' ARG . 14.6 mm -83.38 -40.92 16.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.2 t -46.18 -43.28 15.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -63.89 -34.11 77.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.6 mmp_? -69.6 153.52 95.62 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.626 0.727 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.402 ' C ' ' HE ' ' A' ' 17' ' ' ARG . 54.1 Cg_endo -69.76 147.91 63.92 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.688 ' N ' HH21 ' A' ' 17' ' ' ARG . 3.2 t80 -52.93 -59.17 4.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 14' ' ' TYR . 12.7 ttp180 -36.74 -64.5 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.01 -54.85 7.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.797 ' HD3' HG22 ' A' ' 9' ' ' ILE . 53.3 mtm180 -47.62 -42.34 23.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.932 HG13 HD11 ' A' ' 32' ' ' LEU . 97.5 t -67.94 -65.68 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.656 HG22 HG21 ' A' ' 56' ' ' VAL . 6.6 pt -50.98 -28.75 6.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.082 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.583 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 7.0 m80 -72.26 -27.15 62.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 45.7 mt -89.53 -41.63 11.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.83 HD11 HD23 ' A' ' 53' ' ' LEU . 75.0 mt -66.1 -29.51 69.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.669 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -52.31 -62.57 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.094 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 86.9 mt -45.36 -51.67 10.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.941 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -158.8 174.74 14.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.44 133.53 42.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.113 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.605 ' HB2' HD23 ' A' ' 22' ' ' LEU . 10.3 m-85 -124.69 143.16 50.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.017 0.437 . . . . 0.0 110.901 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 29' ' ' LYS . 8.7 mptt -86.23 149.09 25.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.609 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.7 tptm -36.25 -54.15 1.55 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.596 0.713 . . . . 0.0 110.866 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.609 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 54.1 Cg_endo -69.78 -46.98 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.704 2.269 . . . . 0.0 112.33 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -57.28 -63.18 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.932 HD11 HG13 ' A' ' 18' ' ' VAL . 0.6 OUTLIER -39.71 -41.35 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 35' ' ' ARG . 10.0 mt -59.95 -56.17 24.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.464 ' O ' ' CD ' ' A' ' 38' ' ' LYS . . . -35.77 -30.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 33' ' ' LEU . 37.7 mmt-85 -78.56 -47.63 16.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.817 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.548 ' C ' HG23 ' A' ' 41' ' ' VAL . 6.9 mt -72.11 -51.52 21.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.495 ' N ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -47.43 -32.86 5.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.464 ' CD ' ' O ' ' A' ' 34' ' ' ALA . 21.0 mtpt -57.75 -55.43 35.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.57 -30.77 66.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.42 102.41 0.84 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.548 HG23 ' C ' ' A' ' 36' ' ' LEU . 18.6 t -101.04 126.9 54.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.857 0.361 . . . . 0.0 111.159 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -71.11 126.76 30.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -39.15 -38.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.422 ' CE ' ' O ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -61.33 -55.27 33.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.564 ' HB3' ' CE2' ' A' ' 14' ' ' TYR . 4.1 m-20 -56.3 -42.24 77.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.465 ' HG2' ' CG1' ' A' ' 41' ' ' VAL . 54.7 mttt -38.8 -26.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 45' ' ' ASP . 50.5 m-20 -99.26 -38.4 8.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 m -61.67 -38.23 86.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.641 HD22 ' CD1' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -37.32 -67.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -39.88 -33.79 0.46 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.514 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.22 -39.55 32.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.739 0.304 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.62 ' O ' HG22 ' A' ' 56' ' ' VAL . 70.3 mt -66.71 -41.75 88.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.836 HD21 HD12 ' A' ' 32' ' ' LEU . 12.4 mt -53.42 -36.96 62.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -87.49 -11.96 47.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.416 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 18.3 mm-40 -94.8 -21.66 18.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.656 HG21 HG22 ' A' ' 19' ' ' ILE . 23.6 m -125.22 -23.74 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.106 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.729 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -125.79 177.37 6.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.067 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -127.8 130.73 49.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.753 HD23 ' N ' ' A' ' 60' ' ' ASN . 2.3 tt -79.96 137.19 36.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.753 ' N ' HD23 ' A' ' 59' ' ' LEU . 12.7 t-20 -115.51 99.44 7.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.8 p -43.83 -32.82 1.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.5 tttt -43.27 -69.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -115.94 23.41 12.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.8 mt 43.8 38.96 2.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 91.9 p -109.09 143.09 38.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.643 ' CG ' HD22 ' A' ' 53' ' ' LEU . 54.5 m-85 -94.09 126.28 39.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.8 p -110.14 124.47 51.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.131 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.669 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -54.99 129.53 38.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.416 ' HE3' ' C ' ' A' ' 55' ' ' GLN . 25.9 mttm -51.48 -175.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.448 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 5.0 t70 -97.66 -40.63 8.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.861 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.573 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.8 p90 -68.9 -46.58 67.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.573 HG23 ' CE1' ' A' ' 71' ' ' TYR . 60.8 t -46.78 -32.55 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.177 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.448 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 12.4 m-85 -47.77 -33.96 7.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -73.85 -30.61 62.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -69.04 -22.97 64.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.418 ' CD2' HG13 ' A' ' 19' ' ' ILE . 47.0 mt -58.22 158.0 7.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -117.1 116.61 27.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.3 mtm-85 -58.36 -14.29 7.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -100.71 19.42 17.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.583 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 73.0 t-105 -61.93 121.27 64.21 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.55 0.691 . . . . 0.0 110.944 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.447 ' HG2' ' CD1' ' A' ' 9' ' ' ILE . 53.1 Cg_endo -69.74 -2.86 10.87 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.655 2.237 . . . . 0.0 112.323 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.456 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -83.87 -22.58 55.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.926 ' CE2' HD13 ' A' ' 91' ' ' LEU . 21.5 m-85 -89.54 116.13 27.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.836 0.35 . . . . 0.0 110.944 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 86' ' ' ILE . 37.6 m -74.79 173.51 10.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -39.78 -25.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.475 ' N ' ' O ' ' A' ' 84' ' ' SER . 4.8 mp -93.28 -64.14 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 86' ' ' ILE . 2.9 m-20 -33.98 -53.52 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.412 ' N ' ' HB3' ' A' ' 83' ' ' TYR . 67.0 mtp180 -46.36 -53.78 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -70.11 -21.7 63.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 m -83.76 -20.22 33.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.926 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.09 -44.39 8.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.727 ' N ' HD23 ' A' ' 91' ' ' LEU . 15.5 pt-20 -46.02 -24.94 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.892 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.5 t -74.19 -58.12 3.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 75.7 t -44.87 -50.26 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.094 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.419 ' HB3' HD12 ' A' ' 99' ' ' LEU . 42.6 mt -61.08 -33.36 73.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.4 t -67.46 -35.53 79.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 -81.34 -37.09 28.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -77.65 -69.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.419 HD12 ' HB3' ' A' ' 95' ' ' LEU . 16.5 mt -67.13 101.72 0.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.944 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 t -64.53 111.58 2.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 110.904 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.1 m -91.86 87.86 6.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 145.26 83.75 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.475 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 4' ' ' GLY . 17.8 t -34.6 -43.4 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.0 m -56.62 139.98 48.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.808 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.58 164.23 32.0 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.7 p -124.01 -177.63 3.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.785 0.326 . . . . 0.0 111.121 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.526 HD13 ' HG2' ' A' ' 81' ' ' PRO . 23.0 mm -113.14 -46.15 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.2 p -53.17 -28.36 25.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -70.36 -30.03 66.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -71.86 151.09 93.09 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.605 0.717 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' TYR . 53.7 Cg_endo -69.76 134.48 28.09 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.71 2.273 . . . . 0.0 112.344 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.461 ' CE2' ' HG ' ' A' ' 49' ' ' LEU . 3.0 t80 -36.51 -62.6 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 14' ' ' TYR . 18.4 ttm180 -33.48 -72.33 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.478 ' OD1' ' CE1' ' A' ' 20' ' ' HIS . 10.6 t0 -41.1 -54.5 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.413 ' HE ' HG22 ' A' ' 9' ' ' ILE . 45.7 mtp180 -52.32 -38.48 58.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.599 HG13 HD11 ' A' ' 32' ' ' LEU . 37.6 t -68.14 -63.06 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.128 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.484 HG13 ' N ' ' A' ' 20' ' ' HIS . 30.5 pt -50.14 -42.57 19.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.137 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.789 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 7.9 m80 -57.63 -24.25 55.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.7 mt -89.86 -42.56 11.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.808 HD11 HD23 ' A' ' 53' ' ' LEU . 65.9 mt -67.0 -34.32 77.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.522 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -45.42 -65.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.0 mt -41.91 -51.1 4.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -161.68 169.02 22.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.559 ' HB2' HG22 ' A' ' 67' ' ' THR . . . -69.33 133.05 47.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.094 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.614 ' HB2' HD23 ' A' ' 22' ' ' LEU . 9.0 m-85 -121.98 155.29 35.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 29' ' ' LYS . 2.4 mptt -97.95 146.33 25.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.926 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.662 ' CE ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -34.63 -54.88 0.94 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.563 0.696 . . . . 0.0 110.848 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.8 Cg_endo -69.72 -50.47 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.718 2.279 . . . . 0.0 112.337 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -54.95 -63.38 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.647 HD12 HD21 ' A' ' 53' ' ' LEU . 1.1 tt -38.75 -43.0 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.537 HD11 ' NZ ' ' A' ' 29' ' ' LYS . 11.9 mt -59.95 -53.66 55.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.22 -22.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 33' ' ' LEU . 16.4 mmt180 -88.29 -33.47 18.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.525 ' C ' HG23 ' A' ' 41' ' ' VAL . 13.2 mt -89.52 -53.75 4.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.627 ' N ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -36.54 -48.75 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.9 ptmt -48.05 -53.43 16.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -67.64 -20.41 65.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.03 94.21 1.46 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.531 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.627 HG23 ' N ' ' A' ' 37' ' ' GLN . 20.0 t -101.09 127.27 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 0.0 111.096 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -72.22 145.73 47.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -62.93 -57.3 11.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -51.8 -22.33 3.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.28 -40.21 12.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.453 ' HG2' ' CG1' ' A' ' 41' ' ' VAL . 32.3 mtmt -38.91 -44.08 1.03 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -76.31 -40.07 52.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.4 m -58.87 -35.5 73.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.662 HD13 ' CE ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -41.49 -59.63 1.54 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -43.79 -41.04 5.59 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.447 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.76 -47.32 66.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.76 0.314 . . . . 0.0 111.101 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.497 ' O ' HG22 ' A' ' 56' ' ' VAL . 57.3 mt -57.93 -46.62 87.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.808 HD23 HD11 ' A' ' 22' ' ' LEU . 20.7 mt -47.31 -35.4 7.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -88.11 -17.91 29.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 52' ' ' ILE . 25.6 mt-30 -88.08 -23.15 23.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 52' ' ' ILE . 30.4 m -124.6 -23.96 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.71 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -124.26 177.23 5.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -129.46 130.04 45.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.63 HD23 ' N ' ' A' ' 60' ' ' ASN . 1.1 tt -78.75 131.59 36.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.63 ' N ' HD23 ' A' ' 59' ' ' LEU . 12.8 t-20 -109.28 106.44 16.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.7 t -49.19 -33.06 11.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.8 tttt -43.87 -68.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -118.31 29.81 7.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.1 mt 38.25 32.82 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.8 p -103.1 139.63 38.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.49 ' CZ ' ' HG ' ' A' ' 59' ' ' LEU . 74.8 m-85 -90.0 127.58 36.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.559 HG22 ' HB2' ' A' ' 26' ' ' ALA . 42.9 p -111.34 125.81 54.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.137 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.522 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.02 130.26 41.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.461 ' HB2' HG23 ' A' ' 72' ' ' VAL . 30.1 mttm -52.09 -175.4 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.534 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 5.2 p-10 -97.47 -43.3 7.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.514 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.8 p90 -66.35 -41.64 89.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.927 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.514 HG23 ' CE1' ' A' ' 71' ' ' TYR . 53.0 t -52.29 -30.69 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.534 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 15.3 m-85 -51.24 -28.83 12.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -78.95 -29.44 44.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -73.47 -24.51 60.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.445 HD12 HD21 ' A' ' 95' ' ' LEU . 68.7 mt -50.27 176.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -132.05 120.53 22.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -65.09 -25.77 67.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -96.19 24.93 5.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.789 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 73.6 t-105 -62.98 122.32 74.25 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.581 0.705 . . . . 0.0 110.906 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.526 ' HG2' HD13 ' A' ' 9' ' ' ILE . 53.3 Cg_endo -69.79 -0.85 7.53 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.699 2.266 . . . . 0.0 112.32 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.431 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -89.77 -9.44 66.23 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.879 ' CE2' HD13 ' A' ' 91' ' ' LEU . 22.4 m-85 -102.74 114.67 29.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 110.91 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 47.2 m -73.96 -176.7 2.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -50.13 -22.74 1.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.654 ' N ' HD12 ' A' ' 86' ' ' ILE . 3.1 mp -96.75 -62.07 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.101 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -36.68 -54.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.419 ' N ' ' HB3' ' A' ' 83' ' ' TYR . 58.7 mtp180 -46.01 -54.47 8.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -69.09 -21.69 64.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.1 m -84.04 -17.6 39.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.879 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.05 -41.15 10.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.653 ' N ' HD23 ' A' ' 91' ' ' LEU . 8.8 pt-20 -49.87 -18.33 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 96' ' ' SER . 23.3 t -77.28 -69.79 0.51 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.842 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 93' ' ' SER . 50.7 t -35.91 -61.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.114 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.445 HD21 HD12 ' A' ' 76' ' ' LEU . 43.7 mt -47.06 -41.15 16.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 93' ' ' SER . 47.2 t -66.81 -32.71 74.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -81.89 -20.41 38.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.514 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 70.2 mmtt -99.28 -65.69 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 92.2 mt -61.14 96.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.934 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 t -122.29 103.03 8.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.916 0.389 . . . . 0.0 110.908 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 t -65.28 82.88 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.49 -128.12 0.49 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.539 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.9 p -65.49 132.6 49.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.374 . . . . 0.0 110.878 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.7 p -125.48 144.67 50.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.58 161.61 31.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.548 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.6 p -154.4 170.27 21.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.794 0.33 . . . . 0.0 111.154 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.449 ' CD1' ' HG2' ' A' ' 81' ' ' PRO . 17.0 mm -85.74 -44.02 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.0 t -47.13 -57.07 5.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -43.44 -39.08 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -68.26 150.92 97.54 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.616 0.722 . . . . 0.0 110.853 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 146.87 61.17 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.671 2.247 . . . . 0.0 112.328 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.454 ' O ' ' C ' ' A' ' 15' ' ' ARG . 6.0 t80 -49.84 -63.56 1.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 14' ' ' TYR . 20.1 ttm180 -33.89 -57.07 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.58 -54.95 18.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.82 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.491 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 44.4 mtp180 -54.42 -31.49 55.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.548 HG13 HD11 ' A' ' 32' ' ' LEU . 87.4 t -71.15 -60.01 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.476 HG13 ' N ' ' A' ' 20' ' ' HIS . 31.1 pt -58.11 -40.86 78.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.62 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 11.5 m80 -57.12 -24.37 53.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.429 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 60.6 mt -90.29 -45.75 8.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.914 HD11 HD23 ' A' ' 53' ' ' LEU . 54.5 mt -62.97 -34.35 77.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.575 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -46.74 -63.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.088 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.412 HD11 ' HB3' ' A' ' 87' ' ' ASP . 33.7 mt -45.02 -49.77 11.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -162.67 172.37 15.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.45 ' HB2' HG22 ' A' ' 67' ' ' THR . . . -70.61 134.0 47.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.566 ' CD2' ' OE2' ' A' ' 31' ' ' GLU . 13.6 m-85 -126.63 140.0 52.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.928 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 29' ' ' LYS . 19.7 mttt -83.92 151.74 24.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.905 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.608 ' CE ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -36.56 -55.52 1.47 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.611 0.719 . . . . 0.0 110.935 179.87 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.4 Cg_endo -69.8 -49.75 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.627 2.218 . . . . 0.0 112.308 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.566 ' OE2' ' CD2' ' A' ' 27' ' ' TYR . 29.0 tt0 -53.4 -63.96 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.98 HD12 HD21 ' A' ' 53' ' ' LEU . 0.9 OUTLIER -37.04 -47.51 0.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.964 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 36' ' ' LEU . 12.0 mt -55.33 -57.91 9.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -33.75 -41.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -68.76 -46.02 69.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 33' ' ' LEU . 9.4 mt -73.91 -58.8 3.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.962 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.31 -34.31 0.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -49.57 -50.68 41.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -81.87 -28.79 32.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 137.86 119.17 1.75 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.457 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.4 t -125.57 126.32 70.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 111.103 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -70.27 152.66 43.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -68.13 -48.09 66.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -59.57 -23.93 63.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.01 -31.41 18.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.821 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.7 mtmt -47.24 -56.72 6.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -68.04 -40.67 82.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.1 m -59.02 -26.61 64.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.608 HD13 ' CE ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -51.03 -58.76 5.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -41.72 -33.88 1.14 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.487 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.45 -49.59 26.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.71 0.29 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.549 ' O ' HG22 ' A' ' 56' ' ' VAL . 84.9 mt -55.58 -43.01 71.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.98 HD21 HD12 ' A' ' 32' ' ' LEU . 13.4 mt -53.37 -37.88 62.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.39 -11.55 54.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.425 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 28.7 mt-30 -94.75 -23.7 17.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 52' ' ' ILE . 22.9 m -123.67 -23.56 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.747 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -124.22 177.0 6.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.088 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -128.01 131.24 49.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.646 HD23 ' N ' ' A' ' 60' ' ' ASN . 1.3 tt -79.31 134.41 36.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.646 ' N ' HD23 ' A' ' 59' ' ' LEU . 12.2 t-20 -109.67 86.35 2.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 60' ' ' ASN . 70.1 m -36.96 -30.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 60' ' ' ASN . 1.2 tppt? -51.16 -59.66 3.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.942 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -115.51 12.19 16.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.2 mt 52.49 25.07 3.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.3 p -101.95 141.04 35.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.517 ' CZ ' ' HG ' ' A' ' 59' ' ' LEU . 76.3 m-85 -91.78 127.28 37.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.45 HG22 ' HB2' ' A' ' 26' ' ' ALA . 42.4 p -110.38 125.03 52.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.169 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.575 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -53.71 129.48 33.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.425 ' HE3' ' C ' ' A' ' 55' ' ' GLN . 26.1 mttm -51.27 -175.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.424 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 2.3 p-10 -97.49 -41.1 8.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.554 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.8 p90 -68.18 -45.63 72.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.554 HG23 ' CE1' ' A' ' 71' ' ' TYR . 59.8 t -47.29 -32.36 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.553 ' CE2' ' HG3' ' A' ' 98' ' ' LYS . 13.6 m-85 -49.7 -33.78 16.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -72.89 -29.34 63.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -74.02 -28.79 61.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.1 mt -46.33 167.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -120.86 115.98 24.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -58.82 -28.85 66.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -95.87 33.46 1.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.62 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 72.2 t-105 -73.14 122.7 88.32 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.581 0.705 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.449 ' HG2' ' CD1' ' A' ' 9' ' ' ILE . 53.9 Cg_endo -69.79 -5.64 16.72 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.258 . . . . 0.0 112.356 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.455 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -82.58 -19.46 63.88 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.458 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.845 ' CE2' HD13 ' A' ' 91' ' ' LEU . 25.1 m-85 -89.3 114.26 25.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.886 0.374 . . . . 0.0 110.925 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.5 m -74.21 179.06 4.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -47.87 -19.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.919 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 87' ' ' ASP . 6.2 mm -96.67 -67.01 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 87' ' ' ASP . 1.0 OUTLIER -34.13 -56.24 0.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.847 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -44.13 -54.08 5.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -69.79 -19.81 63.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.6 m -88.54 -19.68 26.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.874 HD23 ' N ' ' A' ' 92' ' ' GLU . 0.1 OUTLIER -92.16 -51.02 5.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.874 ' N ' HD23 ' A' ' 91' ' ' LEU . 0.6 OUTLIER -33.3 -45.14 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 96' ' ' SER . 11.4 t -65.41 -61.82 1.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 93' ' ' SER . 52.9 t -34.3 -60.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 83.6 mt -46.22 -41.59 13.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 93' ' ' SER . 22.0 t -72.66 -49.07 34.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.46 ' CZ ' ' HA ' ' A' ' 97' ' ' ARG . 1.7 mmp_? -54.77 -33.19 60.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.845 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.553 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 61.6 mmtt -87.17 -60.02 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 20.3 mt -63.15 94.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.906 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m 52.25 50.5 18.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 110.884 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 t -88.2 -42.05 12.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.72 78.32 0.13 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.518 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.5 p -87.5 43.22 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.879 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.3 p -154.03 124.46 7.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.24 54.87 0.7 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.507 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.3 p -116.0 166.36 12.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.779 0.323 . . . . 0.0 111.116 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.6 mm -85.64 -43.13 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.1 p -45.43 -58.79 3.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -43.5 -31.55 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.3 mmt-85 -73.0 149.82 89.98 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.576 0.703 . . . . 0.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 149.56 66.86 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.674 2.249 . . . . 0.0 112.307 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.458 ' O ' ' C ' ' A' ' 15' ' ' ARG . 6.1 t80 -52.25 -64.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 14' ' ' TYR . 7.5 ttp180 -33.93 -47.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.44 -58.62 7.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.432 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 22.8 mtp180 -53.1 -29.15 29.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.69 HG13 HD11 ' A' ' 32' ' ' LEU . 70.4 t -76.44 -59.68 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.564 HG22 HG21 ' A' ' 56' ' ' VAL . 26.8 pt -55.98 -41.69 68.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.664 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 21.0 m80 -57.29 -30.87 65.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.5 mt -84.72 -39.93 17.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.884 HD11 HD23 ' A' ' 53' ' ' LEU . 61.5 mt -67.54 -28.29 67.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.944 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.725 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -52.58 -71.64 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 23' ' ' ALA . 95.7 mt -37.6 -44.55 0.7 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.8 pttt -168.14 167.85 12.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.764 ' HB2' HG22 ' A' ' 67' ' ' THR . . . -70.59 137.97 50.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.483 ' HB2' HD23 ' A' ' 22' ' ' LEU . 12.9 m-85 -126.19 152.75 45.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 29' ' ' LYS . 6.7 mptt -92.95 148.53 21.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.595 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -35.99 -54.77 1.38 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.548 0.69 . . . . 0.0 110.867 179.878 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.8 Cg_endo -69.78 -50.25 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.674 2.249 . . . . 0.0 112.347 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 32' ' ' LEU . 31.7 tt0 -55.14 -63.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.022 HD12 HD21 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -37.27 -44.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.59 HD11 ' HZ1' ' A' ' 29' ' ' LYS . 11.8 mt -58.34 -58.41 8.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -35.56 -31.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.072 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 33' ' ' LEU . 23.7 mmt-85 -78.92 -45.48 20.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 33' ' ' LEU . 10.5 mt -75.04 -53.18 9.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.469 ' OE1' ' CE ' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -44.27 -30.95 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.896 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -53.93 -54.8 33.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.18 -24.79 47.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.65 118.37 1.89 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.411 HG23 ' C ' ' A' ' 36' ' ' LEU . 21.7 t -127.7 120.05 53.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.89 0.376 . . . . 0.0 111.136 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -65.95 154.01 40.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -67.9 -46.9 70.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -56.35 -23.02 34.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.63 -35.81 17.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.469 ' CE ' ' OE1' ' A' ' 37' ' ' GLN . 19.8 mttm -48.47 -34.78 11.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -86.47 -37.5 18.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.6 p -73.56 -7.75 53.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.591 HD13 ' CE ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -67.79 -47.62 68.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -57.06 -33.92 65.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.99 -42.25 66.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.769 0.319 . . . . 0.0 111.106 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 55' ' ' GLN . 58.7 mt -64.81 -47.86 86.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.022 HD21 HD12 ' A' ' 32' ' ' LEU . 19.2 mt -46.65 -33.18 4.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -89.35 -19.44 25.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 52' ' ' ILE . 46.7 mm-40 -85.94 -23.86 26.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.564 HG21 HG22 ' A' ' 19' ' ' ILE . 22.8 m -121.47 -25.69 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.751 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -122.76 177.22 5.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -127.49 131.86 50.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.637 HD23 ' N ' ' A' ' 60' ' ' ASN . 2.4 tt -79.47 133.18 36.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.637 ' N ' HD23 ' A' ' 59' ' ' LEU . 12.0 t-20 -109.09 89.81 3.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 60' ' ' ASN . 50.8 m -36.95 -30.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 60' ' ' ASN . 30.1 tptt -46.91 -66.29 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -116.67 18.49 14.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.0 mt 50.33 33.57 7.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 91.6 p -103.48 142.79 33.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.454 ' OH ' HD12 ' A' ' 59' ' ' LEU . 68.8 m-85 -95.18 119.4 33.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.935 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.764 HG22 ' HB2' ' A' ' 26' ' ' ALA . 64.8 p -103.12 124.74 49.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.725 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -54.72 128.89 34.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.486 ' HB2' HG23 ' A' ' 72' ' ' VAL . 30.5 mttm -52.09 -178.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.546 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 1.1 p30 -97.63 -36.94 10.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.501 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.5 p90 -70.44 -40.34 73.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.501 HG23 ' CE1' ' A' ' 71' ' ' TYR . 47.9 t -54.7 -29.95 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.118 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.546 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 13.9 m-85 -50.12 -30.4 11.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.6 ptmm? -74.81 -33.92 62.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -67.12 -37.38 83.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 74.8 mt -40.49 161.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 80' ' ' TRP . 52.4 mt-30 -120.09 104.47 10.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.6 mtm-85 -47.62 -27.24 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -92.25 27.54 2.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.664 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 75.5 t-105 -68.71 111.94 9.8 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.596 0.712 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 1.37 4.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.385 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.445 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -94.33 21.26 43.55 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.614 ' CE2' HD13 ' A' ' 91' ' ' LEU . 21.6 m-85 -123.21 115.79 22.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.883 0.373 . . . . 0.0 110.909 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.465 ' N ' ' HB2' ' A' ' 87' ' ' ASP . 62.8 m -64.32 168.1 6.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.442 ' HG2' HD13 ' A' ' 86' ' ' ILE . 11.8 tt0 -35.86 -33.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.482 ' O ' ' C ' ' A' ' 87' ' ' ASP . 6.4 mm -90.18 -60.94 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.493 ' HB2' ' CA ' ' A' ' 83' ' ' TYR . 10.8 m-20 -31.03 -47.73 0.1 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.448 ' N ' ' HB3' ' A' ' 83' ' ' TYR . 41.9 mtp180 -61.83 -68.27 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -55.8 -13.58 1.84 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.41 -21.66 21.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.723 HD23 ' N ' ' A' ' 92' ' ' GLU . 0.1 OUTLIER -92.05 -42.7 9.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.723 ' N ' HD23 ' A' ' 91' ' ' LEU . 14.5 pt-20 -42.59 -27.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.1 t -74.16 -57.32 4.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.1 t -43.0 -60.36 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.434 ' HB3' HD12 ' A' ' 99' ' ' LEU . 48.3 mt -51.81 -38.1 54.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.958 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.6 t -67.97 -34.25 76.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 -75.85 -52.37 10.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -64.78 -65.61 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.434 HD12 ' HB3' ' A' ' 95' ' ' LEU . 13.5 mt -65.53 92.41 0.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.9 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.5 m -119.22 110.74 17.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.916 0.388 . . . . 0.0 110.839 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.4 m -134.43 121.17 20.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.66 40.02 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.446 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 t -112.63 143.35 43.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.834 0.35 . . . . 0.0 110.867 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -50.87 178.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.32 80.09 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.7 p -105.61 166.58 10.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.805 0.336 . . . . 0.0 111.117 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.2 mm -95.07 -40.7 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.4 t -56.04 -48.93 75.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -50.14 -34.34 21.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -71.36 152.26 94.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.611 0.72 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 142.78 49.05 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.715 2.277 . . . . 0.0 112.354 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.597 ' CE2' ' O ' ' A' ' 45' ' ' ASP . 6.5 t80 -47.0 -63.43 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 14' ' ' TYR . 8.2 ttp180 -32.98 -57.93 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.32 -51.46 54.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.413 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 49.0 mtp180 -57.13 -31.94 65.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.617 HG13 HD11 ' A' ' 32' ' ' LEU . 76.1 t -73.4 -59.08 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.473 HG13 ' N ' ' A' ' 20' ' ' HIS . 16.4 pt -57.61 -46.25 86.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.59 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 15.3 m80 -52.79 -23.97 7.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.5 mt -90.35 -49.34 6.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.947 HD11 HD23 ' A' ' 53' ' ' LEU . 67.9 mt -61.38 -28.88 69.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.612 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -51.75 -67.75 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.3 mt -42.34 -46.83 4.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HE2' ' CZ ' ' A' ' 27' ' ' TYR . 39.0 pttt -162.6 166.83 24.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.7 137.19 51.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.058 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.704 ' HB2' HD23 ' A' ' 22' ' ' LEU . 16.1 m-85 -128.25 144.29 51.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 29' ' ' LYS . 22.0 mttt -88.71 150.19 23.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.604 ' CE ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -35.57 -54.51 1.25 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.575 0.702 . . . . 0.0 110.882 179.796 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.5 Cg_endo -69.75 -49.8 0.53 Allowed 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.736 2.291 . . . . 0.0 112.373 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -55.76 -63.58 1.13 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.981 HD12 HD21 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -38.58 -42.17 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.535 HD11 ' NZ ' ' A' ' 29' ' ' LYS . 13.2 mt -61.08 -53.75 53.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.1 -21.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.41 ' N ' ' C ' ' A' ' 33' ' ' LEU . 13.4 mmm180 -89.17 -32.39 17.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 33' ' ' LEU . 17.2 mt -90.7 -53.89 4.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.493 ' N ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -36.47 -46.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -51.02 -54.51 23.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -69.55 -19.49 63.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 124.13 110.4 1.9 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.493 HG23 ' N ' ' A' ' 37' ' ' GLN . 13.2 t -120.44 114.55 44.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 111.136 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.486 HD22 ' N ' ' A' ' 43' ' ' GLN . 0.1 OUTLIER -76.39 133.02 40.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.486 ' N ' HD22 ' A' ' 42' ' ' ASN . 10.0 tt0 -39.65 -55.45 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.438 ' HG2' ' ND2' ' A' ' 42' ' ' ASN . 11.6 ptpt -52.0 -42.33 62.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.597 ' O ' ' CE2' ' A' ' 14' ' ' TYR . 69.6 m-20 -79.67 -16.35 55.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.82 -45.32 24.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -70.58 -38.97 74.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.8 m -68.24 -26.78 65.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.604 HD13 ' CE ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -40.89 -58.06 1.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -48.41 -35.96 16.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.36 -40.74 70.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.785 0.326 . . . . 0.0 111.109 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.444 ' O ' HG22 ' A' ' 56' ' ' VAL . 67.5 mt -66.32 -45.62 89.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.981 HD21 HD12 ' A' ' 32' ' ' LEU . 14.3 mt -48.58 -36.53 15.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -86.06 -18.14 33.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -88.51 -22.97 23.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 52' ' ' ILE . 17.5 m -124.36 -22.54 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.668 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -124.53 177.36 5.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -130.78 129.24 42.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.812 HD12 ' OH ' ' A' ' 66' ' ' TYR . 2.3 tt -78.57 133.55 37.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.576 ' N ' HD23 ' A' ' 59' ' ' LEU . 10.7 t-20 -112.83 92.6 4.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 60' ' ' ASN . 67.0 m -36.83 -32.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 60' ' ' ASN . 23.5 tptt -41.89 -69.75 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -113.54 15.85 18.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.847 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.425 HD23 HD21 ' A' ' 59' ' ' LEU . 10.9 mt 51.19 38.47 21.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.6 p -111.93 137.64 49.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.829 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.812 ' OH ' HD12 ' A' ' 59' ' ' LEU . 52.8 m-85 -87.73 119.9 28.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.0 p -101.93 125.39 48.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.118 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.612 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -56.81 128.54 37.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -51.03 -178.44 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.553 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 5.0 p-10 -97.34 -39.75 9.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.663 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.6 p90 -67.48 -42.21 83.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.663 HG23 ' CE1' ' A' ' 71' ' ' TYR . 69.3 t -51.42 -32.29 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.553 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 17.0 m-85 -49.31 -32.19 10.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.2 pttt -74.19 -28.03 61.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -75.98 -24.91 55.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.558 HD12 HD21 ' A' ' 95' ' ' LEU . 70.5 mt -47.5 172.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' A' ' 80' ' ' TRP . 21.3 mm-40 -123.6 94.8 4.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 -42.04 -24.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 77' ' ' GLN . 2.5 m-20 -103.11 35.53 2.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.59 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 72.7 t-105 -69.61 127.45 92.67 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.524 0.678 . . . . 0.0 110.946 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.558 ' HD2' ' CE3' ' A' ' 80' ' ' TRP . 54.5 Cg_endo -69.72 -5.05 15.24 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.692 2.261 . . . . 0.0 112.399 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.44 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -84.78 -16.46 65.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.502 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.899 ' CE2' HD13 ' A' ' 91' ' ' LEU . 17.8 m-85 -95.2 119.91 34.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.93 0.395 . . . . 0.0 110.903 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.1 m -81.4 -178.75 7.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -46.34 -24.74 0.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.453 ' O ' ' C ' ' A' ' 87' ' ' ASP . 5.3 mm -94.72 -65.08 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.152 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 86' ' ' ILE . 2.9 m-20 -34.3 -57.02 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -43.39 -54.84 4.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -69.83 -19.51 63.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.4 m -87.83 -18.12 30.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.899 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -91.89 -40.5 11.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.869 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.646 ' N ' HD23 ' A' ' 91' ' ' LEU . 7.6 pt-20 -44.74 -30.07 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.1 t -65.27 -63.27 1.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.1 t -41.21 -59.42 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.558 HD21 HD12 ' A' ' 76' ' ' LEU . 42.8 mt -54.7 -34.46 62.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.5 t -69.26 -39.2 78.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 -74.36 -40.49 62.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.404 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 21.3 mmtp -73.27 -61.9 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 50.2 mt -72.32 99.98 2.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.931 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -93.36 173.56 7.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.379 . . . . 0.0 110.844 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.8 p -80.98 128.79 34.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.39 125.86 0.96 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.443 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.5 p -122.27 46.44 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 0.0 110.899 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -139.13 165.18 27.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.56 165.19 38.45 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.1 p -155.92 171.54 19.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.737 0.303 . . . . 0.0 111.127 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.456 HD13 ' HG2' ' A' ' 81' ' ' PRO . 27.3 mm -68.28 -44.59 83.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.5 p -51.32 -47.43 62.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -53.58 -22.41 8.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -80.44 151.56 72.09 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.603 0.716 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 141.43 45.22 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.729 2.286 . . . . 0.0 112.322 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 15' ' ' ARG . 4.5 t80 -44.73 -63.61 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 14' ' ' TYR . 15.1 ttm180 -34.01 -60.86 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.24 -52.9 14.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.487 ' HB3' ' CD2' ' A' ' 36' ' ' LEU . 34.2 mtp180 -56.71 -30.93 63.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.618 HG13 HD11 ' A' ' 32' ' ' LEU . 88.9 t -76.12 -59.59 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.482 HG13 ' N ' ' A' ' 20' ' ' HIS . 17.1 pt -56.84 -46.12 83.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.127 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.613 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 15.7 m80 -53.56 -26.64 22.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.6 mt -86.69 -46.51 9.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.854 HD11 HD23 ' A' ' 53' ' ' LEU . 60.6 mt -63.24 -31.66 72.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.576 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -48.14 -64.62 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.9 mt -43.46 -50.01 7.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.0 pttt -161.97 171.95 16.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.441 ' HB2' HG22 ' A' ' 67' ' ' THR . . . -69.7 132.34 45.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.716 ' HB2' HD23 ' A' ' 22' ' ' LEU . 15.6 m-85 -126.3 135.86 52.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -80.25 156.18 26.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.616 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 5.0 tptm -41.2 -53.55 6.56 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.566 0.698 . . . . 0.0 110.931 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.616 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.9 Cg_endo -69.73 -50.74 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.702 2.268 . . . . 0.0 112.363 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -54.31 -63.27 1.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.882 HD12 HD21 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -40.04 -46.59 2.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 36' ' ' LEU . 9.3 mt -53.57 -60.39 3.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 33' ' ' LEU . . . -32.62 -48.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.494 ' HA ' ' CE ' ' A' ' 38' ' ' LYS . 8.8 mmt180 -61.34 -44.68 96.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 33' ' ' LEU . 46.7 mt -74.4 -58.01 3.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.441 ' NE2' ' HB ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -41.12 -33.47 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.494 ' CE ' ' HA ' ' A' ' 35' ' ' ARG . 22.2 mtmt -45.52 -55.6 6.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -78.84 -22.88 45.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.32 122.81 2.53 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.441 ' HB ' ' NE2' ' A' ' 37' ' ' GLN . 17.5 t -123.28 136.84 58.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 111.111 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -82.68 125.92 31.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.82 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -46.48 -46.4 18.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -57.8 -28.65 64.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.6 -26.5 27.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -56.29 -48.9 75.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -65.27 -32.44 74.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 p -75.12 -34.05 61.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.613 HD22 ' CD1' ' A' ' 53' ' ' LEU . 0.6 OUTLIER -41.29 -57.32 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.931 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.85 -36.03 13.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.73 -44.89 65.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.762 0.315 . . . . 0.0 111.093 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' GLN . 47.8 mt -61.97 -47.87 91.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.882 HD21 HD12 ' A' ' 32' ' ' LEU . 14.5 mt -45.82 -34.34 3.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -87.76 -20.72 25.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 52' ' ' ILE . 30.9 mt-30 -84.6 -24.03 29.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.462 ' CG2' HG22 ' A' ' 19' ' ' ILE . 20.9 m -122.75 -23.58 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.641 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -124.9 177.37 6.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.078 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -126.98 130.78 50.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.601 HD23 ' N ' ' A' ' 60' ' ' ASN . 0.7 OUTLIER -78.72 131.53 36.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.601 ' N ' HD23 ' A' ' 59' ' ' LEU . 2.3 t-20 -109.97 95.41 5.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.8 t -43.46 -24.92 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.1 tptt -49.91 -65.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -116.93 13.97 15.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.7 mt 56.48 24.98 9.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.1 p -98.38 143.43 28.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.544 ' CB ' HD22 ' A' ' 53' ' ' LEU . 61.2 m-85 -93.5 126.54 38.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.441 HG22 ' HB2' ' A' ' 26' ' ' ALA . 67.1 p -108.68 124.59 50.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.119 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.576 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.27 129.17 37.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.428 ' HB2' HG23 ' A' ' 72' ' ' VAL . 27.4 mttm -51.86 -174.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.455 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 1.6 m-20 -97.28 -44.8 6.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.54 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.9 p90 -64.73 -46.56 81.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.54 HG23 ' CE1' ' A' ' 71' ' ' TYR . 58.1 t -45.19 -35.02 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.13 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.487 ' CE1' HD13 ' A' ' 68' ' ' LEU . 15.6 m-85 -46.78 -36.69 7.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -69.49 -31.88 70.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -71.6 -23.7 61.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 66.7 mt -51.28 170.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -128.54 115.65 18.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.6 mtm180 -60.38 -20.48 59.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -98.64 22.79 9.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.613 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 68.6 t-105 -62.28 118.88 44.39 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.605 0.717 . . . . 0.0 110.912 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.456 ' HG2' HD13 ' A' ' 9' ' ' ILE . 53.6 Cg_endo -69.8 0.96 4.92 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.245 . . . . 0.0 112.309 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -90.81 -9.52 64.07 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.507 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.859 ' CE2' HD13 ' A' ' 91' ' ' LEU . 20.8 m-85 -100.68 118.07 36.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 110.936 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 86' ' ' ILE . 61.4 m -75.85 173.3 11.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -39.33 -26.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.469 ' N ' ' O ' ' A' ' 84' ' ' SER . 6.5 mm -93.97 -64.05 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 86' ' ' ILE . 3.4 m-20 -33.91 -51.97 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.435 ' N ' ' HB3' ' A' ' 83' ' ' TYR . 97.5 mtt180 -50.62 -64.06 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.441 ' NH1' ' HB2' ' A' ' 89' ' ' ARG . 0.6 OUTLIER -58.55 -22.73 56.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.892 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -82.52 -20.39 36.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.859 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.08 -46.49 7.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.88 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.771 ' N ' HD23 ' A' ' 91' ' ' LEU . 9.2 pt-20 -43.05 -25.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 34.6 t -73.06 -58.83 3.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 88.1 t -44.56 -51.95 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 61.1 mt -60.95 -37.55 82.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.0 t -67.52 -32.7 73.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.9 mtm180 -79.35 -49.9 11.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 47.4 mmtt -66.54 -62.96 1.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 35.2 mt -69.1 99.31 1.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 179.908 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -127.3 -48.69 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.853 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.8 t -55.8 115.56 2.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.9 -93.9 0.21 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.468 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.8 m -88.4 120.27 29.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.905 0.383 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.2 m -62.72 90.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.51 125.8 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.442 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.6 p -100.2 169.02 9.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.313 . . . . 0.0 111.155 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.6 mm -80.26 -38.98 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.123 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.2 t -59.45 -47.9 83.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -59.85 -30.26 68.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.431 ' HG3' ' CZ3' ' A' ' 80' ' ' TRP . 5.0 mmp_? -70.44 152.65 95.42 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.57 0.7 . . . . 0.0 110.861 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 14' ' ' TYR . 53.5 Cg_endo -69.79 132.77 23.99 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.708 2.272 . . . . 0.0 112.313 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.446 ' C ' ' O ' ' A' ' 13' ' ' PRO . 5.6 t80 -34.98 -64.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 14' ' ' TYR . 16.1 ttp180 -34.23 -58.71 0.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.65 -50.73 23.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -57.18 -38.99 74.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.577 HG13 HD11 ' A' ' 32' ' ' LEU . 72.2 t -68.54 -59.63 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.484 HG13 ' N ' ' A' ' 20' ' ' HIS . 24.4 pt -54.88 -41.19 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.773 ' CE1' ' CE3' ' A' ' 80' ' ' TRP . 9.0 m80 -57.76 -35.0 70.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 82.5 mt -81.54 -41.64 21.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.813 HD11 HD23 ' A' ' 53' ' ' LEU . 40.4 mt -65.32 -31.73 73.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.598 ' CA ' HD12 ' A' ' 68' ' ' LEU . . . -52.94 -65.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.508 HD11 ' OD2' ' A' ' 87' ' ' ASP . 15.8 mt -38.84 -47.17 1.38 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -167.06 172.97 9.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.04 134.44 47.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.058 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.491 ' HB2' HD23 ' A' ' 22' ' ' LEU . 12.2 m-85 -126.82 153.83 45.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 29' ' ' LYS . 3.8 mptt -96.38 149.34 21.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.609 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 4.3 tptm -36.9 -54.03 1.82 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.592 0.711 . . . . 0.0 110.903 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.609 ' HD2' ' N ' ' A' ' 29' ' ' LYS . 53.7 Cg_endo -69.77 -49.78 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -56.07 -63.69 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.663 HD12 HD21 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -38.86 -42.08 0.8 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 36' ' ' LEU . 10.2 mt -60.12 -55.91 28.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -39.82 -25.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.504 ' HA ' ' CE ' ' A' ' 38' ' ' LYS . 57.7 mmt-85 -85.29 -37.26 20.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' A' ' 33' ' ' LEU . 25.6 mt -82.04 -50.56 8.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.466 ' NE2' ' HB ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -51.78 -42.3 62.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.954 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.504 ' CE ' ' HA ' ' A' ' 35' ' ' ARG . 1.3 ptpt -54.04 -38.78 65.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -84.01 -26.65 28.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.91 106.83 1.07 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.513 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.466 ' HB ' ' NE2' ' A' ' 37' ' ' GLN . 19.1 t -120.23 151.13 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 111.138 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' A' ' 45' ' ' ASP . 2.4 t30 -108.48 125.71 52.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -38.14 -35.39 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -60.5 -44.88 95.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 48' ' ' SER . 5.9 m-20 -69.08 -43.66 74.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 45' ' ' ASP . 4.5 mtmp? -37.96 -40.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -72.61 -43.23 63.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 45' ' ' ASP . 25.3 m -62.76 -40.8 98.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.591 HD22 ' CD1' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -38.63 -68.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.42 -37.69 1.24 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.05 -35.36 49.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.736 0.303 . . . . 0.0 111.086 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.642 ' O ' HG22 ' A' ' 56' ' ' VAL . 84.3 mt -69.12 -41.0 81.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.152 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.813 HD23 HD11 ' A' ' 22' ' ' LEU . 12.5 mt -53.03 -34.13 55.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -90.17 -14.72 32.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.427 ' C ' ' HE3' ' A' ' 69' ' ' LYS . 7.7 mm100 -91.74 -24.5 19.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.642 HG22 ' O ' ' A' ' 52' ' ' ILE . 26.2 m -120.24 -26.42 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.759 ' HB2' HD13 ' A' ' 22' ' ' LEU . . . -123.24 177.36 5.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -127.98 129.22 46.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.61 HD23 ' N ' ' A' ' 60' ' ' ASN . 2.1 tt -79.01 133.17 36.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.61 ' N ' HD23 ' A' ' 59' ' ' LEU . 29.1 t30 -111.28 94.71 5.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.6 t -39.14 -27.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 60' ' ' ASN . 6.8 tptp -48.16 -68.05 0.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -115.73 20.22 14.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.8 mt 48.24 26.2 1.02 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 99.7 p -97.42 143.0 28.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.637 ' CG ' HD22 ' A' ' 53' ' ' LEU . 48.5 m-85 -92.61 129.01 38.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 38.2 p -113.55 124.61 52.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.156 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.598 HD12 ' CA ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -55.17 129.03 36.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.479 ' HB2' HG23 ' A' ' 72' ' ' VAL . 29.3 mttm -51.93 -175.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.541 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 4.9 p-10 -97.58 -43.45 7.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.501 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.7 p90 -65.9 -40.71 91.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.502 HG11 HD21 ' A' ' 68' ' ' LEU . 53.1 t -53.2 -31.92 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.095 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.541 ' CD2' ' HA ' ' A' ' 70' ' ' ASP . 15.1 m-85 -49.04 -33.11 10.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -73.49 -31.9 63.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -69.15 -23.21 63.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.0 mt -55.65 164.23 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -126.34 114.04 17.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 -57.21 -14.33 4.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -99.91 18.65 17.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.773 ' CE3' ' CE1' ' A' ' 20' ' ' HIS . 73.0 t-105 -64.39 120.28 63.74 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.545 0.688 . . . . 0.0 110.926 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -5.15 15.52 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.31 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.455 ' HA3' ' NE1' ' A' ' 80' ' ' TRP . . . -84.02 -11.8 78.1 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.793 ' CE2' HD13 ' A' ' 91' ' ' LEU . 25.1 m-85 -96.53 114.0 25.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.864 0.364 . . . . 0.0 110.914 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.465 ' N ' ' HB2' ' A' ' 87' ' ' ASP . 31.5 m -67.28 176.77 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -50.72 -22.92 2.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.501 ' N ' HD12 ' A' ' 86' ' ' ILE . 4.5 mp -96.74 -45.77 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.508 ' OD2' HD11 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -50.19 -54.39 21.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 -45.49 -50.13 13.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.406 ' CG ' ' O ' ' A' ' 86' ' ' ILE . 4.5 ptm180 -71.86 -23.8 61.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -80.69 -20.92 41.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.793 HD13 ' CE2' ' A' ' 83' ' ' TYR . 0.1 OUTLIER -92.03 -47.4 7.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.788 ' N ' HD23 ' A' ' 91' ' ' LEU . 8.7 pt-20 -44.41 -24.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.7 t -77.29 -53.22 7.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 74.9 t -47.98 -51.08 9.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.091 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.5 ' HB3' HD12 ' A' ' 99' ' ' LEU . 32.2 mt -57.13 -34.22 68.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 18.9 t -68.0 -39.54 83.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -76.19 -38.77 56.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.525 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 37.5 mmtm -78.0 -63.99 1.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.5 HD12 ' HB3' ' A' ' 95' ' ' LEU . 36.1 mt -68.64 97.27 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.966 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.921 . . . . . . . . 0 0 . 1 stop_ save_