data_1wz0_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 1wz0 _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 ' 24' ' ' HIS . . . . . 0.537 ' CE1' ' HG2' ' A' ' 42' ' ' LYS . 17.4 m-70 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.767 0.318 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 32.1 pt -116.79 145.74 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -112.81 132.19 55.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.435 HD13 ' CD1' ' A' ' 91' ' ' ILE . 2.2 mt -119.51 132.6 55.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -91.04 112.96 25.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.7 t -90.99 128.71 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.115 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.095 179.851 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.9 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.885 0.374 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.426 HG11 ' NE ' ' A' ' 57' ' ' ARG . 3.2 t -108.1 122.47 62.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -90.59 161.54 15.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.536 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 95.8 m-85 -151.64 125.34 9.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -104.99 111.95 24.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.0 pt -133.71 179.59 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.537 ' HG2' ' CE1' ' A' ' 24' ' ' HIS . 29.1 mttp -94.57 158.44 15.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -72.57 -18.26 61.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -112.24 35.62 3.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.44 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 51.7 m -128.06 137.17 30.25 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.595 0.712 . . . . 0.0 111.108 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 128.91 16.72 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 48' ' ' SER . 62.4 mt -48.29 -19.44 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 47' ' ' LEU . 88.2 p -34.68 -58.5 0.5 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -48.27 81.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.536 ' CD1' ' CG ' ' A' ' 39' ' ' PHE . 1.3 tp -53.35 -58.94 5.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.964 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.439 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 4.0 mtt -52.0 -59.73 4.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -41.35 -50.1 3.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.87 -36.47 79.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.023 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -61.73 -29.4 70.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 59' ' ' GLY . 85.5 m -77.51 -60.07 2.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 57' ' ' ARG . 7.4 pt-20 -47.42 -41.31 19.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.44 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 47.3 ttt85 -53.28 -50.15 65.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.465 ' HG3' ' NE2' ' A' ' 95' ' ' GLN . 79.1 mm-40 -95.77 -0.38 51.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 63.7 31.51 81.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.2 mt -100.86 -175.85 3.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.8 t -115.48 138.65 50.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.6 ttm -48.64 -42.34 34.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.9 mtm105 -64.36 -55.17 22.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -46.33 -43.62 16.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.9 pt -99.47 172.8 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -145.62 146.65 31.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.44 ' HB3' ' CD1' ' A' ' 74' ' ' ILE . 96.1 m-85 -108.94 158.46 17.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -160.67 155.21 23.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.562 ' CD1' ' HE1' ' A' ' 85' ' ' MET . 88.3 t80 -140.84 111.09 6.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.3 t70 68.94 25.53 6.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.89 34.93 26.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -140.8 145.44 39.87 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.583 0.706 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 118.83 5.91 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.44 ' CD1' ' HB3' ' A' ' 67' ' ' PHE . 3.2 pt -104.71 145.8 12.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.199 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -113.18 133.77 54.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -41.37 -35.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 68.1 p -60.43 -44.31 95.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.31 157.12 6.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.75 159.92 33.95 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.582 0.706 . . . . 0.0 111.162 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.44 ' CD ' ' O ' ' A' ' 45' ' ' THR . 53.9 Cg_endo -69.7 -14.1 35.77 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.387 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.14 -27.68 24.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.054 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -71.87 -37.17 70.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 21.3 mt -87.75 3.91 46.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 62.5 39.18 11.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.562 ' HE1' ' CD1' ' A' ' 69' ' ' PHE . 7.6 mtt -62.24 107.27 0.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.7 mp0 -77.61 179.42 6.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -79.48 145.11 33.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.84 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 62.51 40.29 10.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -85.59 -175.63 5.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.6 m -138.31 133.46 33.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.152 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.435 ' CD1' HD13 ' A' ' 27' ' ' LEU . 17.0 mt -98.24 157.97 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.23 120.78 43.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.8 t -145.69 153.78 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.416 ' N ' ' CD1' ' A' ' 94' ' ' PHE . 6.8 m-85 -118.25 110.21 17.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.465 ' NE2' ' HG3' ' A' ' 58' ' ' GLN . 15.0 mt-30 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.747 0.308 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.6 pt -130.28 144.74 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -110.87 128.23 55.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.47 HD11 ' CD1' ' A' ' 91' ' ' ILE . 6.1 mt -115.95 133.07 56.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -90.92 113.03 25.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.458 HG13 ' CE1' ' A' ' 54' ' ' TYR . 16.7 t -89.9 117.1 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.149 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.88 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 85.8 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.866 0.365 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.426 HG12 ' CE1' ' A' ' 39' ' ' PHE . 13.5 t -128.15 122.67 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.4 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 26.3 mt-30 -92.37 163.32 13.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.526 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 88.9 m-85 -153.72 123.36 6.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.407 ' C ' HG22 ' A' ' 41' ' ' ILE . 1.7 ttpm? -103.57 109.45 21.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.407 HG22 ' C ' ' A' ' 40' ' ' LYS . 10.6 pt -133.4 178.52 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -90.76 168.62 11.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.2 mmt85 -77.57 -34.41 53.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -98.29 37.98 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.43 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 30.4 m -126.35 134.66 26.21 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.587 0.708 . . . . 0.0 111.149 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 129.83 18.24 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.664 2.243 . . . . 0.0 112.362 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 50' ' ' LEU . 54.0 mt -51.98 -16.46 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 47' ' ' LEU . 3.2 p -36.4 -40.79 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -77.11 -41.64 41.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.526 ' CD1' ' CG ' ' A' ' 39' ' ' PHE . 1.1 tp -58.95 -53.61 56.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 1.8 mtt -59.01 -54.54 45.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.46 ' N ' ' HE1' ' A' ' 62' ' ' MET . 37.7 mttt -51.02 -44.91 61.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.83 -23.0 67.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.458 ' CE1' HG13 ' A' ' 29' ' ' VAL . 68.8 t80 -80.06 -46.18 16.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 15.3 p -68.5 -37.52 80.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 6.0 pt-20 -69.45 -45.53 68.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.457 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 18.8 ttt-85 -42.57 -50.41 5.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -87.73 -45.31 10.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.28 32.96 2.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 mt -100.27 173.69 6.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.82 0.343 . . . . 0.0 110.936 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.0 m -88.59 137.67 32.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.823 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.46 ' HE1' ' N ' ' A' ' 52' ' ' LYS . 0.3 OUTLIER -60.81 -24.82 66.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.4 ptt-85 -82.04 -24.87 35.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -76.58 -41.59 45.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.421 ' CD1' ' CE1' ' A' ' 67' ' ' PHE . 2.6 pp -104.03 160.59 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.0 mmt-85 -140.36 167.91 21.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 51' ' ' MET . 21.8 m-85 -123.1 154.49 38.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -151.45 157.6 42.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.56 ' CD1' ' HE1' ' A' ' 85' ' ' MET . 42.0 t80 -145.55 121.51 10.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.1 t0 58.52 30.28 19.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.78 33.34 42.43 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.457 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -142.31 142.16 23.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.602 0.715 . . . . 0.0 110.937 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 118.01 5.42 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.683 2.256 . . . . 0.0 112.342 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.4 pt -100.15 147.3 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -110.85 154.86 23.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -62.02 -39.54 92.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 82.4 p -60.33 -29.54 68.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.62 158.42 36.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.831 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.77 159.86 35.67 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.638 0.732 . . . . 0.0 111.136 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.43 ' CD ' ' O ' ' A' ' 45' ' ' THR . 53.9 Cg_endo -69.69 -17.49 37.88 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.701 2.268 . . . . 0.0 112.358 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.08 -26.08 31.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.07 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -72.92 -31.73 64.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.4 mt -98.82 19.75 14.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 47.16 40.75 10.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.56 ' HE1' ' CD1' ' A' ' 69' ' ' PHE . 5.9 mtt -61.57 99.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 54.4 mt-10 -74.79 166.62 23.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -67.36 165.58 16.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 50.23 28.65 3.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 86' ' ' GLU . 5.7 m-20 -75.32 -175.74 2.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 96.9 m -147.07 126.92 13.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.166 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.47 ' CD1' HD11 ' A' ' 27' ' ' LEU . 7.9 mt -98.23 153.8 3.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.145 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -112.42 120.75 42.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.417 HG12 ' CE2' ' A' ' 54' ' ' TYR . 53.5 t -135.23 151.68 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 94' ' ' PHE . 5.6 m-85 -114.33 109.45 18.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.932 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.743 0.306 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.0 pt -127.86 148.77 32.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -116.55 130.85 56.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.458 ' CD1' HD12 ' A' ' 91' ' ' ILE . 3.6 mt -116.58 131.51 56.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -91.03 111.57 23.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.522 ' CG1' ' CG2' ' A' ' 93' ' ' VAL . 7.5 t -90.11 125.12 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.12 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.879 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.9 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.824 0.345 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.447 HG11 ' CE1' ' A' ' 39' ' ' PHE . 23.7 t -107.89 122.37 62.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -91.41 162.18 14.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.602 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 91.3 m-85 -152.81 122.5 6.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.1 tttm -105.12 110.06 22.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.7 pt -132.5 177.14 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.2 mttp -89.11 157.31 18.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.0 mtp180 -63.7 -38.74 92.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.51 ' CG ' ' O ' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -95.43 41.23 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.446 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 3.2 m -123.77 133.25 24.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.591 0.71 . . . . 0.0 111.109 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.402 ' C ' ' N ' ' A' ' 48' ' ' SER . 54.0 Cg_endo -69.72 122.19 8.88 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 48' ' ' SER . 72.4 mt -44.54 -22.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 47' ' ' LEU . 46.5 t -34.32 -61.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -54.65 -46.76 74.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.602 ' CD1' ' CG ' ' A' ' 39' ' ' PHE . 2.8 tp -55.56 -57.73 10.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.497 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 2.3 mtt -55.1 -66.38 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' MET . 42.7 mttt -38.12 -46.62 1.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.64 -36.89 85.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.494 ' N ' ' O ' ' A' ' 51' ' ' MET . 87.5 t80 -58.52 -29.61 66.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 59' ' ' GLY . 86.3 m -77.21 -57.37 3.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.839 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.407 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 5.2 pt-20 -53.3 -42.38 66.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.407 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 50.7 ttt180 -51.41 -49.67 61.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -99.35 5.04 46.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 56.61 35.92 69.1 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.483 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 75.5 mt -98.6 178.73 4.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.856 0.36 . . . . 0.0 110.934 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.2 m -102.19 131.1 48.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.2 tpt -52.86 -55.61 21.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.4 ' C ' ' HD3' ' A' ' 63' ' ' ARG . 0.1 OUTLIER -58.47 -40.03 81.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.851 -179.877 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -60.6 -35.03 75.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.5 pt -103.3 168.21 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 31.9 mmt-85 -144.41 155.45 43.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.497 ' CE1' ' HB3' ' A' ' 51' ' ' MET . 95.0 m-85 -117.07 152.15 35.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -154.45 157.0 37.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.485 ' CD1' ' HE2' ' A' ' 85' ' ' MET . 55.3 t80 -144.09 129.78 19.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.4 t0 50.59 26.5 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.59 36.01 30.89 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -140.22 145.41 41.49 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.609 0.719 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 116.12 4.41 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.718 2.279 . . . . 0.0 112.326 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.425 ' CD1' ' HB3' ' A' ' 67' ' ' PHE . 9.6 pt -100.84 155.77 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -122.42 150.04 43.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -58.75 -33.39 70.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.7 p -67.86 -27.36 66.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -72.63 156.54 38.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -114.71 159.63 36.45 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.637 0.732 . . . . 0.0 111.117 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.446 ' CD ' ' O ' ' A' ' 45' ' ' THR . 53.5 Cg_endo -69.76 -15.14 36.94 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.721 2.281 . . . . 0.0 112.282 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.68 -23.87 27.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.086 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -76.02 -32.96 59.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.0 mt -95.51 7.59 45.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 60.66 36.22 19.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.485 ' HE2' ' CD1' ' A' ' 69' ' ' PHE . 7.1 mtt -57.42 99.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -71.69 177.41 4.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -77.42 152.82 34.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 59.19 27.16 16.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -72.2 173.57 8.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.5 m -131.61 129.84 41.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.458 HD12 ' CD1' ' A' ' 27' ' ' LEU . 13.0 mt -98.35 152.83 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.429 ' N ' HG21 ' A' ' 91' ' ' ILE . 39.1 m-20 -106.01 120.71 42.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.522 ' CG2' ' CG1' ' A' ' 29' ' ' VAL . 59.4 t -144.13 143.47 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.47 ' N ' HG11 ' A' ' 93' ' ' VAL . 38.5 m-85 -109.69 109.45 20.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.885 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.425 ' CD2' ' N ' ' A' ' 24' ' ' HIS . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.763 0.316 . . . . 0.0 110.869 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.424 ' CD1' ' HB2' ' A' ' 80' ' ' PRO . 39.8 pt -125.71 140.68 47.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.509 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -89.1 139.09 30.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.412 ' CD1' HD12 ' A' ' 91' ' ' ILE . 3.5 mt -135.22 121.95 20.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -92.05 111.72 23.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.7 t -92.01 134.59 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.838 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.4 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.883 0.373 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.5 t -107.51 122.1 61.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -95.52 152.64 18.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.5 ' CD2' HD12 ' A' ' 50' ' ' LEU . 72.6 m-85 -140.64 126.06 18.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.9 tttt -106.84 102.11 11.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.3 pt -122.25 171.68 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.417 ' HD3' ' NE2' ' A' ' 44' ' ' HIS . 16.3 mtpt -79.46 139.79 37.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.422 ' C ' ' HD2' ' A' ' 43' ' ' ARG . 1.2 ppt_? -58.11 -20.62 41.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.417 ' NE2' ' HD3' ' A' ' 42' ' ' LYS . 2.6 p-80 -103.98 1.57 31.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.407 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 1.8 m -93.22 131.8 32.07 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 111.147 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 132.06 22.59 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.669 2.246 . . . . 0.0 112.374 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 48' ' ' SER . 36.4 mt -46.59 -20.6 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' LEU . 79.9 p -34.36 -54.62 0.52 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -65.36 -46.3 80.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.5 HD12 ' CD2' ' A' ' 39' ' ' PHE . 1.0 OUTLIER -53.16 -58.03 8.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.963 179.849 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.409 ' C ' ' HE1' ' A' ' 62' ' ' MET . 2.6 mtt -52.73 -52.05 57.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.462 ' N ' ' HE1' ' A' ' 62' ' ' MET . 10.8 mtpp -53.69 -32.9 53.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.13 -25.35 42.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.482 ' CE1' HG12 ' A' ' 93' ' ' VAL . 55.1 t80 -80.18 -36.68 34.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 16.0 p -75.18 -35.3 61.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -75.2 -41.56 57.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -49.66 -48.96 49.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -87.22 -46.29 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.63 28.3 3.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 mt -101.33 172.86 6.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.342 . . . . 0.0 110.95 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.9 t -96.19 146.67 24.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.462 ' HE1' ' N ' ' A' ' 52' ' ' LYS . 3.6 mmt -59.27 -42.47 91.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -30.02 69.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -70.23 -38.74 75.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 37.7 pt -102.95 158.92 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.3 mmt-85 -138.16 128.11 25.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -90.62 148.01 22.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -150.43 155.28 39.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.569 ' CE1' ' HE3' ' A' ' 85' ' ' MET . 78.4 t80 -145.68 108.49 4.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.2 t70 72.83 26.42 2.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.32 35.24 34.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.502 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -140.56 142.87 30.51 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.64 0.733 . . . . 0.0 110.919 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 120.43 7.23 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.652 2.235 . . . . 0.0 112.355 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.6 pt -105.62 144.35 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -116.29 147.21 41.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -49.7 -41.99 44.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.3 p -54.77 -42.61 71.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -63.13 145.47 55.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.64 160.53 26.25 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.556 0.693 . . . . 0.0 111.198 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.424 ' HB2' ' CD1' ' A' ' 25' ' ' ILE . 53.7 Cg_endo -69.71 -17.78 37.6 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.38 -30.12 27.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.47 -40.7 93.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 mt -84.44 5.38 27.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 60.93 43.47 11.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.569 ' HE3' ' CE1' ' A' ' 69' ' ' PHE . 10.7 mtp -71.57 106.68 4.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 16.3 pt-20 -84.76 167.58 15.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -61.42 146.68 47.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 67.47 36.55 3.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 86' ' ' GLU . 17.8 m-20 -81.16 -176.15 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.838 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 96.6 m -140.68 126.48 19.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.412 HD12 ' CD1' ' A' ' 27' ' ' LEU . 6.8 mt -100.17 145.55 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -105.84 121.41 43.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.482 HG12 ' CE1' ' A' ' 54' ' ' TYR . 91.3 t -141.66 151.58 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -112.31 112.08 23.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.948 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.814 0.34 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.7 pt -119.2 151.48 21.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -116.22 130.26 56.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 mt -118.3 131.18 56.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.3 mttt -93.55 116.71 29.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.0 t -94.08 131.78 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.817 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.2 t . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.817 0.341 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.521 HG12 ' CE1' ' A' ' 39' ' ' PHE . 3.8 t -111.19 123.36 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -94.16 159.35 15.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.521 ' CE1' HG12 ' A' ' 37' ' ' VAL . 93.3 m-85 -150.35 127.86 11.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.7 tttp -110.97 110.62 21.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.8 pt -129.85 178.13 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.142 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -88.15 159.04 18.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -72.69 -13.41 61.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -113.66 19.35 16.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.4 m -111.01 132.11 21.83 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 111.132 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 131.74 21.86 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 48' ' ' SER . 27.0 mt -49.41 -19.28 0.5 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.957 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 47' ' ' LEU . 89.8 p -35.5 -52.6 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -66.97 -41.16 87.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -56.5 -57.18 13.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 67' ' ' PHE . 3.6 mtt -53.78 -57.76 9.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -43.19 -56.21 3.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.91 -38.24 64.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.111 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -67.46 -23.9 65.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 78.9 m -85.63 -43.06 13.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -70.14 -42.61 72.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.7 ttm-85 -47.69 -45.28 28.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.445 ' HG3' ' NE2' ' A' ' 95' ' ' GLN . 35.0 mm-40 -90.7 -59.12 2.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 131.64 30.06 0.56 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mt -108.15 176.68 5.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.34 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 t -102.87 169.62 8.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 58.7 mmm -79.08 -45.19 20.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -3.93 25.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -95.84 -31.42 13.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.468 HD11 ' CZ ' ' A' ' 67' ' ' PHE . 7.6 pt -113.6 164.71 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -134.77 147.87 50.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 51' ' ' MET . 77.0 m-85 -111.27 144.99 39.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 24.6 mtt-85 -138.15 152.06 48.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.61 ' CD1' ' CE ' ' A' ' 85' ' ' MET . 66.3 t80 -142.87 106.02 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.5 t0 69.62 28.83 4.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.86 29.27 43.04 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -141.77 146.01 39.29 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.631 0.729 . . . . 0.0 110.877 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 128.61 16.3 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 pt -112.34 135.75 50.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.124 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.447 ' OD1' ' CG ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -98.05 150.16 21.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -58.14 -30.01 66.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 59.7 p -68.5 -43.08 77.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.172 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.447 ' CG ' ' OD1' ' A' ' 75' ' ' ASN . 29.2 m-20 -55.26 151.99 8.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.35 160.81 27.05 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.563 0.696 . . . . 0.0 111.141 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -20.28 34.91 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.656 2.237 . . . . 0.0 112.355 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.37 -30.58 42.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.93 -40.91 95.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.6 mt -90.35 9.17 29.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 85' ' ' MET . 8.3 mt-10 55.36 33.56 21.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.61 ' CE ' ' CD1' ' A' ' 69' ' ' PHE . 3.3 mmt -37.05 119.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -78.89 162.71 25.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.57 133.84 44.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 64.38 33.93 10.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -68.24 -174.99 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.9 m -135.72 123.41 22.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.152 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.8 mt -98.56 144.56 11.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -106.3 123.43 48.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.437 ' CG1' ' N ' ' A' ' 94' ' ' PHE . 91.4 t -140.01 158.55 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.523 ' CD1' ' N ' ' A' ' 94' ' ' PHE . 1.0 OUTLIER -119.1 121.19 39.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.445 ' NE2' ' HG3' ' A' ' 58' ' ' GLN . 31.5 mt-30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.542 ' CE1' ' HG2' ' A' ' 42' ' ' LYS . 15.2 m-70 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.824 0.345 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 16.6 pt -116.96 143.49 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -106.94 124.94 50.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.454 ' CD1' HD11 ' A' ' 91' ' ' ILE . 2.2 mt -115.28 125.85 53.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -90.92 115.44 27.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.5 t -92.1 113.32 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.062 179.916 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 87.8 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.893 0.378 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.451 HG13 ' CE1' ' A' ' 39' ' ' PHE . 14.6 t -107.25 121.98 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -96.71 161.55 13.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.603 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 96.9 m-85 -150.56 136.58 18.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -118.58 105.82 12.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.9 pt -128.24 177.47 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.542 ' HG2' ' CE1' ' A' ' 24' ' ' HIS . 36.8 mttp -88.55 160.54 17.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -67.86 -37.75 82.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -84.08 -7.7 59.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.482 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 13.7 m -83.73 130.33 56.01 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.552 0.692 . . . . 0.0 111.143 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 137.82 36.38 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.253 . . . . 0.0 112.343 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 48' ' ' SER . 69.5 mt -51.55 -21.26 2.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 47' ' ' LEU . 8.9 t -34.96 -62.27 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.9 mmtm -53.12 -45.37 68.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.603 ' CD1' ' CG ' ' A' ' 39' ' ' PHE . 1.3 tp -57.32 -61.37 2.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.971 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.444 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 2.4 mtt -49.32 -68.21 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -37.84 -52.92 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.22 -45.31 68.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -53.95 -29.64 43.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 7.7 m -77.61 -59.56 2.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -53.73 -41.21 66.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 44.6 ttm-85 -44.98 -46.84 11.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -95.19 -57.8 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.54 32.99 0.5 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.492 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mt -107.81 178.35 4.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.35 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 t -92.69 135.54 34.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.74 -30.98 57.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -77.12 -48.02 18.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -47.78 -41.09 22.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.539 HD13 ' CZ ' ' A' ' 67' ' ' PHE . 31.1 pt -97.8 156.49 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -130.31 150.06 51.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.539 ' CZ ' HD13 ' A' ' 65' ' ' ILE . 89.9 m-85 -116.16 146.76 42.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.468 ' CG ' ' HB3' ' A' ' 92' ' ' ASP . 9.6 ptt180 -153.41 141.12 19.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.561 ' CD1' ' HE1' ' A' ' 85' ' ' MET . 48.3 t80 -126.22 130.85 51.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.0 t70 62.9 32.91 15.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.03 28.87 63.64 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.505 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -141.34 146.65 43.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.592 0.71 . . . . 0.0 110.907 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 112.25 3.03 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.646 2.231 . . . . 0.0 112.337 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.456 ' CG2' HD11 ' A' ' 83' ' ' LEU . 3.8 pt -93.79 148.71 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -114.15 144.96 42.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.416 ' HB2' ' CB ' ' A' ' 48' ' ' SER . 13.1 pt-20 -49.74 -43.19 47.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 69.9 p -51.83 -48.2 64.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -57.08 156.37 7.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.59 158.21 36.14 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.595 0.712 . . . . 0.0 111.102 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.482 ' CD ' ' O ' ' A' ' 45' ' ' THR . 53.9 Cg_endo -69.75 -10.47 28.65 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.638 2.226 . . . . 0.0 112.369 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -90.45 -28.77 18.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -68.93 -35.93 77.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.957 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.456 HD11 ' CG2' ' A' ' 74' ' ' ILE . 8.7 mt -90.13 3.3 53.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 61.93 36.4 15.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.561 ' HE1' ' CD1' ' A' ' 69' ' ' PHE . 5.7 mtt -51.18 106.74 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -72.24 171.59 11.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -69.43 155.22 40.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 11.0 pt-20 43.72 38.56 2.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -66.15 -175.25 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 85.2 m -141.7 118.9 11.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.454 HD11 ' CD1' ' A' ' 27' ' ' LEU . 4.7 mt -98.21 147.26 6.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.468 ' HB3' ' CG ' ' A' ' 68' ' ' ARG . 2.9 t70 -108.81 120.84 43.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 90.9 t -132.19 156.17 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.474 ' N ' ' CD1' ' A' ' 94' ' ' PHE . 2.5 m-85 -114.45 109.58 18.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.922 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.782 0.325 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.8 pt -125.52 144.96 33.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -112.57 115.15 28.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.473 ' CD1' HD11 ' A' ' 91' ' ' ILE . 6.8 mt -103.48 130.61 50.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -91.08 112.15 23.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.8 t -93.07 130.98 41.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 179.908 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 76.7 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.878 0.371 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 t -117.78 121.9 68.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -101.1 163.5 12.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.595 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 91.7 m-85 -153.46 124.62 7.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -108.33 111.07 22.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.2 pt -132.1 178.32 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -88.68 159.63 17.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.2 ptt85 -66.66 -33.42 75.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -89.24 -8.08 54.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.473 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 2.4 m -82.29 130.62 58.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.577 0.703 . . . . 0.0 111.143 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 150.8 68.79 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.697 2.265 . . . . 0.0 112.34 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 70.8 mt -66.43 -17.86 65.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.414 ' CB ' ' HB2' ' A' ' 76' ' ' GLU . 13.9 t -39.17 -54.87 1.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.9 mttm -61.37 -42.64 99.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.595 ' CD1' ' CG ' ' A' ' 39' ' ' PHE . 1.0 OUTLIER -57.59 -59.92 4.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.553 ' HG2' ' CD1' ' A' ' 67' ' ' PHE . 3.2 mtt -48.51 -56.38 8.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -50.17 -43.49 52.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.62 -21.79 65.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.069 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 81.8 t80 -86.5 -34.8 19.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.7 p -76.43 -31.57 57.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 4.8 pt-20 -78.8 -43.37 25.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.421 ' HG2' ' NE2' ' A' ' 58' ' ' GLN . 34.5 ttm-85 -45.63 -35.74 4.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.421 ' NE2' ' HG2' ' A' ' 57' ' ' ARG . 73.0 mm-40 -102.52 -53.84 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 125.99 28.88 0.99 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.425 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mt -101.48 173.76 6.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.3 m -99.46 139.34 35.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.47 ' CE ' ' HB2' ' A' ' 51' ' ' MET . 1.2 ttt -44.76 -52.97 7.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.5 ptt-85 -60.41 -50.92 71.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -43.76 -44.11 6.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.5 pt -99.89 168.19 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -146.7 138.62 24.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.553 ' CD1' ' HG2' ' A' ' 51' ' ' MET . 89.0 m-85 -101.09 160.67 14.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' A' ' 67' ' ' PHE . 31.7 mtt180 -163.39 140.34 7.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.569 ' CZ ' ' HE2' ' A' ' 85' ' ' MET . 27.3 t80 -124.79 107.22 10.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.3 t0 74.35 26.43 1.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.45 31.44 37.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -134.15 142.51 43.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.541 0.686 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 123.64 10.27 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.682 2.254 . . . . 0.0 112.329 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 pt -114.73 136.78 50.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -102.63 154.7 18.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.414 ' HB2' ' CB ' ' A' ' 48' ' ' SER . 7.9 pt-20 -57.45 -43.59 84.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 77.7 p -56.72 -35.62 68.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.16 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.1 159.08 15.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.85 160.14 37.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.565 0.697 . . . . 0.0 111.118 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.473 ' CD ' ' O ' ' A' ' 45' ' ' THR . 53.2 Cg_endo -69.79 -14.78 36.48 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.72 2.28 . . . . 0.0 112.304 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.54 -26.89 27.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -73.4 -29.04 62.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.2 mt -87.69 3.61 47.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 62.8 47.25 4.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.569 ' HE2' ' CZ ' ' A' ' 69' ' ' PHE . 7.8 mtt -79.24 130.06 35.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.406 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 17.6 mt-10 -94.8 -71.2 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 86' ' ' GLU . 3.5 m-20 -175.68 162.61 2.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 43.26 29.51 0.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.0 124.78 27.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.5 m -78.22 131.33 37.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.473 HD11 ' CD1' ' A' ' 27' ' ' LEU . 13.2 mt -98.16 151.75 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.435 ' N ' HG23 ' A' ' 91' ' ' ILE . 8.2 t70 -109.82 120.74 43.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.414 ' CG1' ' N ' ' A' ' 94' ' ' PHE . 59.4 t -138.67 160.16 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.414 ' N ' ' CG1' ' A' ' 93' ' ' VAL . 5.8 m-85 -124.79 109.45 13.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.942 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.761 0.315 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 26.5 pt -131.38 145.51 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -112.53 120.62 42.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 mt -103.84 130.71 51.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.45 ' O ' ' CG2' ' A' ' 90' ' ' THR . 22.3 mtmt -93.33 112.83 24.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.0 t -93.24 128.35 44.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.143 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.859 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 82.3 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.903 0.382 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.535 HG11 ' CZ ' ' A' ' 39' ' ' PHE . 8.7 t -111.53 122.0 65.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -98.65 157.2 16.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.598 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 86.8 m-85 -145.6 133.43 21.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.422 ' C ' HG21 ' A' ' 41' ' ' ILE . 51.4 tttt -106.9 114.6 28.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.422 HG21 ' C ' ' A' ' 40' ' ' LYS . 13.4 pt -136.12 179.4 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -95.47 158.38 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.32 -22.76 66.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -112.39 47.4 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.42 ' C ' HG23 ' A' ' 79' ' ' THR . 63.2 m -134.25 134.87 23.16 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.563 0.697 . . . . 0.0 111.164 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 129.81 18.22 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.252 . . . . 0.0 112.358 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 48' ' ' SER . 59.6 mt -53.05 -19.12 2.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 47' ' ' LEU . 81.4 p -35.26 -48.28 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -70.01 -49.2 53.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.598 ' CD1' ' CG ' ' A' ' 39' ' ' PHE . 1.0 OUTLIER -49.61 -52.21 32.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.6 mtt -57.12 -57.2 13.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -47.45 -35.57 8.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.57 -26.77 60.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.47 ' CE2' HG11 ' A' ' 93' ' ' VAL . 62.5 t80 -80.82 -40.23 25.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 12.7 p -73.02 -39.43 66.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 6.0 pt-20 -67.36 -44.34 79.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.438 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 18.6 ttt85 -51.46 -43.4 62.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -95.5 -5.48 42.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.88 20.86 76.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.5 mt -89.11 179.24 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.371 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.9 t -105.32 136.5 44.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.9 ttm -54.3 -42.5 70.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -67.89 -30.6 69.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -69.88 -41.6 74.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.3 pt -98.27 155.56 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 -121.43 147.31 45.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -113.38 146.69 39.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.3 mtm-85 -151.48 162.6 40.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.566 ' CZ ' ' HG2' ' A' ' 85' ' ' MET . 27.8 t80 -149.25 110.59 4.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.9 t70 65.47 26.04 11.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.94 34.56 14.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.46 ' NE2' HD22 ' A' ' 83' ' ' LEU . 3.2 pt20 -139.99 138.48 19.64 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.645 0.736 . . . . 0.0 110.89 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 116.1 4.4 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.712 2.275 . . . . 0.0 112.344 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 10.8 pt -103.98 146.41 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -113.79 172.96 6.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -73.13 -29.64 63.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 36.1 p -81.92 14.78 2.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -111.3 149.15 31.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.42 HG23 ' C ' ' A' ' 45' ' ' THR . 0.8 OUTLIER -110.28 160.61 27.72 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.607 0.718 . . . . 0.0 111.127 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -24.82 29.17 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.66 2.24 . . . . 0.0 112.365 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.53 -24.54 49.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -75.07 -33.66 61.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.46 HD22 ' NE2' ' A' ' 72' ' ' GLN . 4.1 mt -83.56 8.07 15.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 62.39 44.54 7.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.566 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 30.3 mtt -76.53 148.05 37.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -107.17 -74.47 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 89' ' ' ASP . 4.4 p30 -175.56 164.07 3.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 39.7 27.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 87' ' ' ASP . 6.8 m-20 -62.95 -175.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.45 ' CG2' ' O ' ' A' ' 28' ' ' LYS . 70.2 m -139.92 130.33 25.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.417 HG22 ' N ' ' A' ' 92' ' ' ASP . 5.4 mt -99.83 151.41 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.417 ' N ' HG22 ' A' ' 91' ' ' ILE . 5.6 t70 -107.34 123.03 47.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.47 HG11 ' CE2' ' A' ' 54' ' ' TYR . 54.1 t -141.41 154.04 20.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.411 ' N ' ' CG1' ' A' ' 93' ' ' VAL . 9.4 m-85 -126.33 111.47 14.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 -179.904 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.516 ' CE1' ' HG2' ' A' ' 42' ' ' LYS . 47.5 m-70 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.759 0.314 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 47.6 pt -131.99 145.14 35.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -111.2 134.24 52.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.473 HD11 ' CD1' ' A' ' 91' ' ' ILE . 7.3 mt -120.06 129.19 54.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -90.92 109.76 20.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.579 ' CG1' ' CE2' ' A' ' 54' ' ' TYR . 73.7 t -89.98 128.39 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.093 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.05 179.911 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.4 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.86 0.362 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.431 HG13 ' CE1' ' A' ' 39' ' ' PHE . 6.0 t -110.57 121.99 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.098 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.401 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 43.3 mt-30 -96.27 165.09 12.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.583 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 81.6 m-85 -152.29 135.15 15.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.41 ' C ' HG22 ' A' ' 41' ' ' ILE . 29.2 tttt -109.97 108.56 18.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.41 HG22 ' C ' ' A' ' 40' ' ' LYS . 8.8 pt -133.08 175.16 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.516 ' HG2' ' CE1' ' A' ' 24' ' ' HIS . 24.9 mttp -93.41 161.27 14.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -64.8 -43.38 93.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.05 37.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.459 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 54.0 m -124.54 131.43 24.16 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.572 0.701 . . . . 0.0 111.142 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 125.46 12.16 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 48' ' ' SER . 86.6 mt -44.8 -22.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 47' ' ' LEU . 7.5 t -34.31 -57.82 0.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -58.1 -42.43 85.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.583 ' CD1' ' CG ' ' A' ' 39' ' ' PHE . 1.9 tp -60.12 -61.52 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.512 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 2.1 mtt -48.49 -58.84 4.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt -45.62 -41.43 10.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.56 -30.46 71.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.579 ' CE2' ' CG1' ' A' ' 29' ' ' VAL . 48.8 t80 -77.52 -39.73 45.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.4 p -74.02 -31.72 63.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 4.1 pt-20 -76.1 -44.73 37.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.446 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 21.4 ttt180 -45.22 -48.56 12.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -89.18 -41.0 12.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.27 25.37 5.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.544 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.5 mt -98.44 169.68 9.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.786 0.327 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.3 p -99.13 135.06 41.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.3 ttm -40.6 -55.98 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -50.44 -52.18 40.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.53 -33.87 15.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.4 pt -106.43 172.99 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.09 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -147.39 129.37 15.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.531 ' CD2' HG22 ' A' ' 93' ' ' VAL . 86.5 m-85 -96.49 148.08 23.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -146.53 162.02 39.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.555 ' CD1' ' HE1' ' A' ' 85' ' ' MET . 66.0 t80 -148.25 106.29 3.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.4 t70 64.69 30.76 12.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.15 38.13 35.6 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -138.66 142.09 33.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.653 0.74 . . . . 0.0 110.85 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 113.76 3.49 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.314 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.5 pt -105.19 150.25 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -123.2 152.62 41.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -54.54 -43.77 72.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 57.4 p -54.58 -44.91 73.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -58.43 150.3 22.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.41 160.34 27.45 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.582 0.706 . . . . 0.0 111.154 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.459 ' CD ' ' O ' ' A' ' 45' ' ' THR . 54.1 Cg_endo -69.74 -20.85 34.4 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.336 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.21 -22.13 42.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.11 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -75.61 -34.17 60.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.6 mt -96.36 18.72 13.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 50.35 42.0 25.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.555 ' HE1' ' CD1' ' A' ' 69' ' ' PHE . 7.0 mtt -67.27 103.16 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.449 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 18.9 pt-20 -82.19 167.92 18.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -64.05 155.34 31.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 62.77 27.51 16.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.46 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . 12.5 m-20 -71.56 -177.52 1.89 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 91.0 m -142.85 123.77 14.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.473 ' CD1' HD11 ' A' ' 27' ' ' LEU . 5.0 mt -98.37 146.34 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.082 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -105.39 120.75 42.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.531 HG22 ' CD2' ' A' ' 67' ' ' PHE . 89.1 t -139.86 157.93 26.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.434 ' N ' ' CG1' ' A' ' 93' ' ' VAL . 65.0 m-85 -129.94 115.23 16.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.2 m80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.735 0.303 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.5 pt -111.53 135.1 51.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -96.2 123.84 39.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.413 ' CD1' HD11 ' A' ' 91' ' ' ILE . 3.3 mt -114.14 128.49 56.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -92.82 108.98 20.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.3 t -91.06 126.0 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.095 179.873 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.7 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.88 0.372 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.558 HG11 ' CE1' ' A' ' 39' ' ' PHE . 3.0 t -107.28 121.98 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.5 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 42.5 mt-30 -100.77 162.32 12.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.558 ' CE1' HG11 ' A' ' 37' ' ' VAL . 69.1 m-85 -154.39 128.69 9.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.1 tttp -107.06 107.16 18.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.2 pt -129.68 175.66 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -86.99 155.24 20.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -67.06 -25.11 66.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -96.56 -10.1 28.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.412 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 2.4 m -80.26 132.51 59.21 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.58 0.705 . . . . 0.0 111.177 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 134.9 29.13 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.72 2.28 . . . . 0.0 112.371 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 48' ' ' SER . 38.7 mt -48.63 -20.98 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' LEU . 34.5 t -35.12 -55.99 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.809 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.03 -41.63 98.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.48 ' CD1' ' CG ' ' A' ' 39' ' ' PHE . 1.8 tp -58.39 -54.08 51.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.544 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 3.1 mtt -58.1 -54.64 44.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -46.82 -56.18 6.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.26 -38.94 69.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.144 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -63.07 -29.49 70.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 9.1 m -80.53 -55.3 4.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 13.5 pt-20 -52.67 -45.09 66.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.438 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 10.9 ttt85 -45.95 -45.05 15.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -97.9 0.92 47.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.96 34.45 82.06 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mt -113.25 -175.16 2.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 110.937 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.6 m -112.19 150.08 31.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 54.8 mtp -54.83 -48.47 72.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 33.5 ptt-85 -60.15 -47.17 87.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -48.01 -28.16 2.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.557 HD12 ' CZ ' ' A' ' 67' ' ' PHE . 18.8 pt -118.4 172.82 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -135.71 144.85 46.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.557 ' CZ ' HD12 ' A' ' 65' ' ' ILE . 83.1 m-85 -111.12 141.1 45.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 92' ' ' ASP . 13.4 mmt180 -142.14 156.3 45.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.56 ' CE1' ' HE3' ' A' ' 85' ' ' MET . 59.0 t80 -148.08 116.18 6.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.0 t70 60.33 30.48 19.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.72 32.81 48.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.515 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.418 ' C ' ' HD3' ' A' ' 68' ' ' ARG . 12.6 mm100 -137.9 140.91 30.82 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.599 0.714 . . . . 0.0 110.92 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 112.31 3.04 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.74 2.294 . . . . 0.0 112.302 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 67' ' ' PHE . 7.2 pt -100.14 147.54 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.408 ' C ' ' HE2' ' A' ' 51' ' ' MET . 2.0 m120 -118.58 159.52 23.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -59.87 -42.99 94.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 79.1 p -53.73 -48.99 69.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -55.46 154.92 5.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -111.16 158.97 34.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.569 0.699 . . . . 0.0 111.141 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.412 ' CD ' ' O ' ' A' ' 45' ' ' THR . 53.8 Cg_endo -69.79 -8.95 24.9 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -90.92 -36.11 14.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -59.48 -32.11 69.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 mt -96.89 3.59 52.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 58.47 50.45 9.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.56 ' HE3' ' CE1' ' A' ' 69' ' ' PHE . 11.4 mtp -70.54 105.86 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.418 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 18.9 mt-10 -73.93 171.97 12.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -69.01 156.65 38.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 54.49 28.76 10.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 86' ' ' GLU . 11.2 m-20 -66.91 -177.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 85.3 m -142.92 122.23 13.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.435 HG21 ' N ' ' A' ' 92' ' ' ASP . 2.9 mt -99.31 146.19 9.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 68' ' ' ARG . 21.1 m-20 -105.72 120.68 42.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.532 ' CG1' ' N ' ' A' ' 94' ' ' PHE . 24.8 t -137.32 159.94 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.532 ' N ' ' CG1' ' A' ' 93' ' ' VAL . 0.8 OUTLIER -138.17 109.5 6.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.813 0.34 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 34.2 pt -124.06 145.24 31.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.5 m-80 -111.39 130.51 55.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.4 mt -116.9 129.82 56.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -90.95 111.45 22.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.469 HG12 ' CE1' ' A' ' 54' ' ' TYR . 40.8 t -90.32 123.3 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.074 179.895 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.7 t . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.866 0.365 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.418 ' CG1' ' CE1' ' A' ' 39' ' ' PHE . 31.5 t -106.04 123.03 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.166 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -99.29 160.82 14.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.456 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 87.1 m-85 -148.35 133.04 17.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.413 ' C ' HG22 ' A' ' 41' ' ' ILE . 30.0 ttmt -111.08 111.95 23.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.413 HG22 ' C ' ' A' ' 40' ' ' LYS . 11.5 pt -133.32 177.15 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.5 mttm -90.62 155.45 18.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -64.82 -28.7 69.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -94.51 -5.65 45.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.441 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 15.7 m -83.75 129.65 58.64 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.553 0.692 . . . . 0.0 111.179 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 134.16 27.24 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.673 2.249 . . . . 0.0 112.317 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 50' ' ' LEU . 81.0 mt -47.35 -25.55 1.04 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 47' ' ' LEU . 13.0 p -34.5 -54.73 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -60.81 -40.17 91.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.7 tp -62.27 -56.8 14.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.1 mtt -53.62 -49.54 67.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -52.92 -48.8 67.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.01 -27.44 69.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.469 ' CE1' HG12 ' A' ' 29' ' ' VAL . 61.1 t80 -73.3 -33.44 65.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.937 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 32.6 m -76.87 -43.15 37.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -66.57 -41.97 87.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.8 ttt-85 -46.35 -55.71 6.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -84.16 -53.63 5.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 124.79 33.66 0.74 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.469 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mt -108.91 177.68 4.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.348 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 t -102.73 148.05 26.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 15.2 mmm -52.79 -53.99 40.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -59.91 -42.9 94.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -51.95 -42.82 63.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.511 HD13 ' CE1' ' A' ' 67' ' ' PHE . 7.0 pt -102.96 172.75 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.42 ' NH1' ' HB3' ' A' ' 66' ' ' ARG . 3.6 mmm180 -142.34 148.72 38.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.511 ' CE1' HD13 ' A' ' 65' ' ' ILE . 85.0 m-85 -115.34 149.49 37.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -152.57 149.93 29.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.532 ' CD1' ' HE1' ' A' ' 85' ' ' MET . 87.1 t80 -129.73 114.43 15.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 61.92 27.3 16.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.01 33.14 24.54 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.458 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -137.85 143.44 40.05 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.656 0.741 . . . . 0.0 110.904 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 120.26 7.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.685 2.257 . . . . 0.0 112.304 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.3 pt -107.24 146.55 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.164 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -114.86 136.07 53.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -42.46 -44.23 3.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 75.0 p -52.75 -47.75 67.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.17 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -52.94 159.25 1.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -114.72 159.51 36.95 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.622 0.725 . . . . 0.0 111.129 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.441 ' CD ' ' O ' ' A' ' 45' ' ' THR . 53.7 Cg_endo -69.74 -14.95 36.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.342 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.62 -29.78 25.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -67.93 -33.07 73.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.415 ' O ' ' CG ' ' A' ' 84' ' ' GLU . 16.8 mt -97.08 21.1 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 83' ' ' LEU . 8.3 pt-20 43.02 46.9 4.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.532 ' HE1' ' CD1' ' A' ' 69' ' ' PHE . 8.7 mtt -68.19 102.5 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.457 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 11.4 pt-20 -84.07 161.45 20.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.825 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -58.54 155.37 12.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 62.66 32.42 16.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.457 ' CG ' ' O ' ' A' ' 86' ' ' GLU . 12.7 m-20 -79.69 -176.66 5.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.812 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 96.9 m -143.39 129.57 19.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.4 mt -100.89 147.98 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.16 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -107.04 120.9 43.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.815 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 96.6 t -143.05 152.46 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -120.4 110.63 16.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.951 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.567 ' CE1' ' HG2' ' A' ' 42' ' ' LYS . 8.4 m80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.707 0.289 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 27.8 pt -130.16 133.6 63.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -96.75 131.09 43.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.9 mt -119.39 129.21 54.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -90.9 112.49 24.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.462 ' CG1' ' CE2' ' A' ' 54' ' ' TYR . 32.7 t -93.79 114.2 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.074 179.892 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 37' ' ' VAL . 96.9 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.862 0.363 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.553 HG11 ' CE1' ' A' ' 39' ' ' PHE . 19.6 t -110.75 122.03 64.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -98.93 162.3 13.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.586 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 85.1 m-85 -151.53 124.61 8.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.415 ' C ' HG22 ' A' ' 41' ' ' ILE . 21.5 ttpt -106.4 112.6 25.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.415 HG22 ' C ' ' A' ' 40' ' ' LYS . 8.2 pt -135.08 174.84 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.567 ' HG2' ' CE1' ' A' ' 24' ' ' HIS . 8.1 mtpp -86.35 170.95 11.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -69.94 -33.94 72.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.462 ' C ' ' ND1' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -92.06 -2.75 56.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.3 m -75.79 118.87 74.18 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.548 0.69 . . . . 0.0 111.166 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 48' ' ' SER . 54.0 Cg_endo -69.7 122.5 9.2 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.67 2.247 . . . . 0.0 112.361 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 50' ' ' LEU . 48.7 mt -41.69 -24.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' PRO . 6.7 p -34.98 -56.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -63.88 -37.71 88.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.586 ' CD1' ' CG ' ' A' ' 39' ' ' PHE . 1.5 tp -60.93 -59.9 4.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.553 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 5.9 mtt -49.11 -50.49 36.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -51.53 -52.89 43.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.86 -23.76 63.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.462 ' CE2' ' CG1' ' A' ' 29' ' ' VAL . 47.1 t80 -79.85 -35.07 38.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 59.9 m -76.94 -37.45 55.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 15.6 pt-20 -70.04 -45.32 67.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.43 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 43.7 ttt85 -44.37 -55.39 5.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -81.57 -50.77 8.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.63 35.61 0.9 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.522 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mt -111.08 179.06 4.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.849 0.356 . . . . 0.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.4 t -106.95 143.36 35.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 34.7 mmm -52.31 -36.97 54.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -67.67 -53.14 30.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -49.43 -41.29 39.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.433 HD12 ' CE1' ' A' ' 67' ' ' PHE . 8.3 pt -100.53 171.0 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -149.85 133.29 16.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.553 ' CE1' ' HB3' ' A' ' 51' ' ' MET . 86.9 m-85 -92.21 162.49 14.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.0 mtt-85 -163.48 142.32 8.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.563 ' CD1' ' HE2' ' A' ' 85' ' ' MET . 76.6 t80 -125.92 116.63 21.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 62.15 28.95 17.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.27 36.39 27.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -141.47 144.42 33.69 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.616 0.722 . . . . 0.0 110.936 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 117.91 5.36 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.675 2.25 . . . . 0.0 112.315 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.444 ' CD1' ' HB3' ' A' ' 67' ' ' PHE . 2.7 pt -104.69 148.76 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 76' ' ' GLU . 20.1 m120 -114.8 133.68 55.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 75' ' ' ASN . 6.1 pt-20 -37.72 -42.74 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 52.1 p -54.24 -49.75 68.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.167 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -48.17 155.95 0.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.4 159.67 40.84 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.588 0.708 . . . . 0.0 111.155 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -7.65 21.6 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.664 2.243 . . . . 0.0 112.331 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -92.17 -27.87 17.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -74.97 -37.23 61.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.403 HD11 ' CG2' ' A' ' 74' ' ' ILE . 8.8 mt -91.47 11.11 25.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 53.2 39.84 30.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.563 ' HE2' ' CD1' ' A' ' 69' ' ' PHE . 7.2 mtt -58.28 98.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -62.69 -178.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -79.48 162.15 25.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 87' ' ' ASP . 10.2 pt-20 36.29 38.22 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -72.15 -176.02 1.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 89.0 m -132.82 127.96 35.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 92' ' ' ASP . 3.7 mt -98.37 156.02 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.134 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.467 ' N ' HG23 ' A' ' 91' ' ' ILE . 30.8 m-20 -112.6 121.93 46.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 92.4 t -144.45 150.36 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -112.82 109.43 18.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.966 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.772 0.32 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.411 ' CG2' ' O ' ' A' ' 86' ' ' GLU . 4.9 pt -123.85 141.48 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -99.83 110.92 23.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.462 ' CD1' HD13 ' A' ' 91' ' ' ILE . 14.7 mt -102.86 128.89 49.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -93.66 109.08 20.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.4 t -89.88 121.04 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.871 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.1 t . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.877 0.37 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.533 HG12 ' CE1' ' A' ' 39' ' ' PHE . 21.8 t -117.16 122.5 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.404 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 39.7 mt-30 -97.02 162.63 13.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.533 ' CE1' HG12 ' A' ' 37' ' ' VAL . 81.1 m-85 -152.04 135.3 15.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -112.9 110.0 19.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.2 pt -129.11 179.79 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -95.78 164.06 12.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -70.03 -38.13 75.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.816 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -89.57 1.34 56.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.431 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 3.0 m -91.23 130.0 41.48 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.616 0.722 . . . . 0.0 111.122 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 139.06 39.21 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.6 mt -55.74 -16.59 4.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 p -37.9 -58.29 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -57.85 -44.72 86.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.509 HD13 ' CD2' ' A' ' 39' ' ' PHE . 1.2 tp -56.07 -63.05 1.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.538 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 5.3 mtt -45.41 -66.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.466 ' HG2' ' CE ' ' A' ' 62' ' ' MET . 15.8 mtmm -40.91 -54.55 2.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.13 -36.64 61.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.504 ' CE2' HG11 ' A' ' 93' ' ' VAL . 82.6 t80 -68.68 -36.14 78.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 59' ' ' GLY . 5.9 m -70.63 -50.67 34.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.67 -41.68 86.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 48.8 ttm-85 -55.42 -43.67 75.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.45 ' HG3' ' NE2' ' A' ' 95' ' ' GLN . 53.9 mm-40 -101.52 5.32 41.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 57.51 32.98 65.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.49 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.7 mt -97.57 -175.45 3.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.789 0.328 . . . . 0.0 110.953 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 t -113.19 135.03 54.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.466 ' CE ' ' HG2' ' A' ' 52' ' ' LYS . 2.2 ttt -50.01 -44.13 51.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -68.39 -49.66 58.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -47.09 -39.12 12.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.7 pt -102.75 167.41 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -144.74 127.26 16.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.538 ' CZ ' ' HA ' ' A' ' 51' ' ' MET . 83.4 m-85 -88.28 157.72 18.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 31.6 mtt85 -160.36 147.61 16.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.831 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.569 ' CD1' ' HE2' ' A' ' 85' ' ' MET . 92.0 t80 -139.2 112.04 7.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.3 t0 72.56 24.99 2.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.842 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.37 35.57 32.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.462 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -138.86 142.03 32.39 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 120.06 6.9 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.683 2.255 . . . . 0.0 112.291 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.458 ' CD1' ' HB3' ' A' ' 67' ' ' PHE . 10.9 pt -108.95 145.97 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -113.94 156.98 23.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -59.57 -32.44 70.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 76.9 p -65.87 -40.19 91.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.148 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -60.44 157.5 13.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.56 160.64 29.73 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.633 0.73 . . . . 0.0 111.081 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.431 ' CD ' ' O ' ' A' ' 45' ' ' THR . 53.8 Cg_endo -69.82 -24.93 28.83 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.646 2.23 . . . . 0.0 112.354 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.29 -22.15 55.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.056 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -75.92 -34.32 59.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.7 mt -86.2 11.02 12.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 61.01 41.03 14.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.569 ' HE2' ' CD1' ' A' ' 69' ' ' PHE . 8.2 mtt -76.26 116.92 17.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.411 ' O ' ' CG2' ' A' ' 25' ' ' ILE . 21.9 mt-10 -87.34 -74.23 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -175.72 165.73 3.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 42.83 29.63 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.452 ' C ' ' OD1' ' A' ' 89' ' ' ASP . 0.3 OUTLIER -70.09 -174.6 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 44.2 m -128.46 124.35 35.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.462 HD13 ' CD1' ' A' ' 27' ' ' LEU . 11.8 mt -98.11 144.2 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.422 ' N ' HG23 ' A' ' 91' ' ' ILE . 2.3 m-20 -105.71 123.65 48.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.504 HG11 ' CE2' ' A' ' 54' ' ' TYR . 97.0 t -145.37 143.87 21.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -105.23 111.3 24.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.45 ' NE2' ' HG3' ' A' ' 58' ' ' GLN . 15.6 mt-30 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.42 ' NE2' ' HG2' ' A' ' 42' ' ' LYS . 16.6 m80 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.772 0.32 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.46 ' CD1' ' HB2' ' A' ' 80' ' ' PRO . 21.5 pt -134.41 144.4 35.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -110.79 114.31 27.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.461 ' CD1' HD12 ' A' ' 91' ' ' ILE . 2.6 mt -106.22 129.4 54.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -92.62 107.18 19.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.523 ' CG1' ' CE2' ' A' ' 54' ' ' TYR . 24.4 t -90.6 117.24 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.165 179.831 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 37.6 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.845 0.355 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.435 HG12 ' CD ' ' A' ' 57' ' ' ARG . 11.7 t -121.39 122.01 66.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.157 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.427 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 37.2 mt-30 -95.44 162.65 13.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.569 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 70.5 m-85 -152.32 130.02 11.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.7 tttp -103.14 117.06 33.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.4 pt -139.87 -178.76 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.152 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.42 ' HG2' ' NE2' ' A' ' 24' ' ' HIS . 33.9 mtpt -99.69 169.6 9.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.9 ptt85 -73.87 -40.44 63.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -94.06 36.14 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.811 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.459 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 4.6 m -122.08 133.16 24.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.612 0.72 . . . . 0.0 111.113 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 125.09 11.74 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.725 2.283 . . . . 0.0 112.33 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.463 ' O ' ' C ' ' A' ' 48' ' ' SER . 42.9 mt -48.86 -18.87 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 47' ' ' LEU . 55.5 p -33.57 -57.51 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -60.11 -51.45 69.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.569 ' CD1' ' CG ' ' A' ' 39' ' ' PHE . 0.8 OUTLIER -49.2 -53.92 19.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.567 ' HG2' ' CE1' ' A' ' 67' ' ' PHE . 16.0 mtt -49.53 -53.48 23.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.4 mtmm -51.74 -53.24 41.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.64 -23.85 4.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.523 ' CE2' ' CG1' ' A' ' 29' ' ' VAL . 48.4 t80 -83.17 -30.33 27.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 11.4 p -81.05 -35.46 31.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 5.9 pt-20 -70.64 -43.4 69.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.435 ' CD ' HG12 ' A' ' 37' ' ' VAL . 59.2 ttt-85 -47.67 -53.19 15.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.425 ' NE2' HH11 ' A' ' 57' ' ' ARG . 72.9 mm-40 -86.3 -32.03 21.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.61 31.25 6.82 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.518 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mt -103.6 178.23 4.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.9 m -97.77 150.88 20.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 39.8 mtp -64.52 -56.12 16.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -15.16 10.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -80.47 -43.28 21.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 48.7 pt -100.73 153.7 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.417 ' NH2' ' HB3' ' A' ' 73' ' ' PRO . 5.7 tpt180 -118.31 147.37 43.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.567 ' CE1' ' HG2' ' A' ' 51' ' ' MET . 97.1 m-85 -109.13 141.72 40.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -144.28 155.56 43.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.563 ' CE1' ' HE3' ' A' ' 85' ' ' MET . 76.8 t80 -150.7 137.69 19.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 42.87 28.57 0.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 73.28 36.89 55.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -138.97 145.09 43.94 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.417 ' HB3' ' NH2' ' A' ' 66' ' ' ARG . 53.9 Cg_endo -69.69 112.47 3.07 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.703 2.269 . . . . 0.0 112.363 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 10.0 pt -102.72 142.98 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -114.29 157.77 22.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -60.6 -41.09 94.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 23.9 p -63.13 -29.92 71.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.77 166.45 10.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 p -123.72 159.12 57.22 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.579 0.704 . . . . 0.0 111.148 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.46 ' HB2' ' CD1' ' A' ' 25' ' ' ILE . 54.2 Cg_endo -69.71 -17.26 37.9 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.735 2.29 . . . . 0.0 112.384 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.26 -24.01 32.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.097 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -76.47 -30.1 57.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.977 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.8 mt -86.59 4.22 41.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 65.26 49.32 1.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.563 ' HE3' ' CE1' ' A' ' 69' ' ' PHE . 24.8 mtt -84.42 143.17 29.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.44 ' O ' ' CG2' ' A' ' 25' ' ' ILE . 20.4 mm-40 -109.07 -75.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 89' ' ' ASP . 0.7 OUTLIER -172.58 170.32 4.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 39.61 25.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 87' ' ' ASP . 42.3 m-20 -63.7 -174.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 73.0 m -142.26 122.95 14.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.461 HD12 ' CD1' ' A' ' 27' ' ' LEU . 3.9 mt -98.72 150.77 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.401 ' N ' HG23 ' A' ' 91' ' ' ILE . 3.8 t0 -109.63 120.69 43.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 75.0 t -134.11 147.9 30.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -109.22 109.24 20.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.451 ' CE1' ' HG2' ' A' ' 42' ' ' LYS . 33.5 m-70 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.799 0.333 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.2 pt -140.9 137.62 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.168 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -103.6 111.66 24.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.49 ' CD2' ' OD1' ' A' ' 89' ' ' ASP . 6.2 mt -105.0 129.66 53.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -91.42 110.74 22.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.9 t -91.45 129.09 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.874 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.403 HG11 ' NE2' ' A' ' 38' ' ' GLN . 95.1 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.904 0.383 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.449 HG11 ' CE1' ' A' ' 39' ' ' PHE . 20.2 t -118.33 124.57 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.403 ' NE2' HG11 ' A' ' 36' ' ' VAL . 16.9 mp0 -96.37 163.09 13.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.648 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 91.1 m-85 -152.85 133.73 13.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.41 ' C ' HG21 ' A' ' 41' ' ' ILE . 1.0 OUTLIER -109.82 113.55 26.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.879 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.41 HG21 ' C ' ' A' ' 40' ' ' LYS . 18.4 pt -134.72 -178.57 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.131 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.451 ' HG2' ' CE1' ' A' ' 24' ' ' HIS . 55.1 mttt -99.65 155.13 17.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.32 -27.96 69.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.441 ' CG ' ' O ' ' A' ' 44' ' ' HIS . 6.0 p80 -105.62 40.71 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.831 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.1 m -129.1 133.5 25.26 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.633 0.73 . . . . 0.0 111.087 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 48' ' ' SER . 53.7 Cg_endo -69.75 121.75 8.44 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 48' ' ' SER . 76.1 mt -42.95 -23.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 47' ' ' LEU . 7.4 t -34.0 -53.31 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -44.35 96.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.648 ' CD1' ' CG ' ' A' ' 39' ' ' PHE . 1.5 tp -58.15 -57.21 13.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.543 ' HG2' ' CE1' ' A' ' 67' ' ' PHE . 4.4 mtt -49.47 -66.81 0.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 51' ' ' MET . 24.5 mtpt -34.91 -55.95 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.28 -40.73 64.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.487 ' N ' ' O ' ' A' ' 51' ' ' MET . 53.6 t80 -58.18 -31.68 67.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 59' ' ' GLY . 74.6 m -76.25 -56.55 4.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.435 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 8.2 pt-20 -55.32 -44.37 75.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.435 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 33.5 ttm-85 -44.84 -49.56 10.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 70.6 mm-40 -98.63 -8.03 27.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 76.9 26.66 61.98 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.507 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.5 mt -96.18 -177.15 3.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.794 0.33 . . . . 0.0 110.937 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 t -102.13 175.09 5.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.4 ttt -93.93 -50.72 5.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.92 -6.95 9.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -92.16 -35.25 13.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.474 HD11 ' CE1' ' A' ' 67' ' ' PHE . 6.8 pt -105.69 165.2 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -140.11 145.29 37.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.543 ' CE1' ' HG2' ' A' ' 51' ' ' MET . 87.8 m-85 -106.14 157.66 17.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -163.07 147.81 11.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.55 ' CD2' ' HE1' ' A' ' 85' ' ' MET . 28.5 t80 -135.96 112.71 10.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.4 t70 70.58 25.15 4.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.8 34.29 28.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.524 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -135.88 138.23 27.33 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.579 0.704 . . . . 0.0 110.895 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 116.78 4.72 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.698 2.266 . . . . 0.0 112.294 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.405 ' CD1' ' HB3' ' A' ' 67' ' ' PHE . 10.0 pt -106.09 146.45 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -110.77 161.16 16.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -64.65 -39.23 93.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 75.5 p -64.68 -18.45 64.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.166 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.7 163.92 25.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.52 160.77 42.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.579 0.704 . . . . 0.0 111.122 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -20.4 35.05 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.37 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.45 -27.04 46.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -74.12 -30.16 62.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.3 mt -87.61 10.66 17.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 60.58 48.43 7.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.55 ' HE1' ' CD2' ' A' ' 69' ' ' PHE . 8.9 mtt -91.26 138.6 31.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.557 ' CD ' ' N ' ' A' ' 86' ' ' GLU . 1.7 pm0 -119.27 -58.17 1.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -176.16 170.38 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 43.45 25.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.492 ' HB3' ' CZ ' ' A' ' 69' ' ' PHE . 0.1 OUTLIER -73.17 125.13 27.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.8 m -85.26 128.39 34.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.468 HD12 ' CD1' ' A' ' 27' ' ' LEU . 5.4 mt -100.57 145.38 11.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -107.53 121.2 44.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 99.5 t -139.64 147.08 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -111.35 109.89 20.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.929 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.561 ' CE1' ' HG2' ' A' ' 42' ' ' LYS . 63.6 m-70 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.793 0.33 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.6 pt -133.34 132.04 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.489 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -88.21 126.21 35.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.401 HD13 ' CD1' ' A' ' 91' ' ' ILE . 10.5 mt -116.19 121.72 42.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -91.0 107.28 19.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.41 HG13 ' CG2' ' A' ' 93' ' ' VAL . 21.4 t -89.97 116.22 30.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 179.871 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 49.1 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.877 0.37 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.48 HG12 ' CZ ' ' A' ' 39' ' ' PHE . 10.3 t -136.81 125.9 36.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -96.77 158.03 15.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.605 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 91.5 m-85 -149.45 122.14 8.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.422 ' C ' HG22 ' A' ' 41' ' ' ILE . 5.2 ttpm? -101.51 115.71 31.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.422 HG22 ' C ' ' A' ' 40' ' ' LYS . 14.1 pt -140.4 179.48 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.561 ' HG2' ' CE1' ' A' ' 24' ' ' HIS . 49.4 mttt -89.74 158.02 17.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.409 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -70.74 -21.39 62.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -108.82 36.83 2.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.414 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 43.8 m -125.13 135.02 26.28 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.595 0.712 . . . . 0.0 111.126 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 126.23 13.09 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.25 . . . . 0.0 112.369 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 50' ' ' LEU . 32.7 mt -49.76 -20.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 47' ' ' LEU . 21.7 t -34.5 -45.98 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.93 -43.55 62.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.886 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.605 ' CD1' ' CG ' ' A' ' 39' ' ' PHE . 1.4 tp -56.1 -53.44 57.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.478 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 3.0 mtt -59.9 -58.98 6.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.407 ' N ' ' HE1' ' A' ' 62' ' ' MET . 20.5 mttt -39.61 -48.42 2.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.83 84.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.565 ' CE2' HG11 ' A' ' 93' ' ' VAL . 62.0 t80 -60.95 -32.11 71.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' GLY . 99.7 m -73.06 -54.05 9.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 4.4 pt-20 -57.23 -43.56 82.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.43 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 39.5 ttt180 -48.49 -44.08 35.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -104.87 2.1 29.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 59.83 37.5 92.6 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.531 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.3 mt -101.14 -176.31 3.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.5 m -108.47 132.28 53.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.445 ' CE ' ' HB2' ' A' ' 51' ' ' MET . 0.3 OUTLIER -49.56 -37.16 26.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.414 ' O ' ' NH1' ' A' ' 63' ' ' ARG . 13.5 tpt85 -75.63 -44.99 39.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -54.34 -30.39 51.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.9 pt -115.18 168.81 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 -143.75 162.74 35.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.478 ' CE1' ' HB3' ' A' ' 51' ' ' MET . 63.0 m-85 -120.64 155.67 33.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.5 mtt180 -153.66 150.12 28.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.652 ' CD1' ' CE ' ' A' ' 85' ' ' MET . 76.5 t80 -137.69 110.44 7.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.1 t0 69.06 28.03 5.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.22 29.16 41.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.49 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -139.55 143.58 36.1 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.558 0.694 . . . . 0.0 110.926 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 122.39 9.07 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.718 2.279 . . . . 0.0 112.358 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.7 pt -101.54 144.16 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -106.35 131.54 53.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -39.97 -40.94 1.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 41.3 p -59.08 -44.72 91.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.117 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -56.0 148.03 18.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.842 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.71 160.64 25.4 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.601 0.715 . . . . 0.0 111.124 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.414 ' CD ' ' O ' ' A' ' 45' ' ' THR . 53.4 Cg_endo -69.75 -12.7 33.45 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.702 2.268 . . . . 0.0 112.339 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 43' ' ' ARG . . . -87.51 -27.65 22.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -71.44 -34.42 70.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.6 mt -92.65 9.24 35.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 55.57 48.62 18.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.652 ' CE ' ' CD1' ' A' ' 69' ' ' PHE . 7.8 mtt -69.89 120.65 15.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -84.94 177.3 8.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -75.5 149.35 38.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 55.51 25.54 7.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -58.97 -175.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 44.9 m -138.12 122.28 18.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.413 HG21 ' N ' ' A' ' 92' ' ' ASP . 3.4 mt -98.23 147.54 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.413 ' N ' HG21 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -105.56 121.14 43.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.891 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.565 HG11 ' CE2' ' A' ' 54' ' ' TYR . 43.2 t -136.7 156.37 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.447 ' N ' ' CG1' ' A' ' 93' ' ' VAL . 17.1 m-85 -116.62 109.77 17.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.902 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.404 ' NE2' ' HG2' ' A' ' 42' ' ' LYS . 9.5 m80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.753 0.311 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 36.2 pt -118.92 131.61 71.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -88.09 129.91 35.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 mt -124.83 126.45 45.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -90.9 113.72 25.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 65.2 t -92.11 116.19 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.887 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.8 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.84 0.353 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.508 HG13 ' CZ ' ' A' ' 39' ' ' PHE . 11.9 t -106.52 121.95 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -95.41 159.25 15.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.551 ' CD2' HD11 ' A' ' 50' ' ' LEU . 90.5 m-85 -149.51 126.78 11.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -108.7 107.17 17.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.5 pt -127.69 -179.69 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.404 ' HG2' ' NE2' ' A' ' 24' ' ' HIS . 82.7 mttt -91.52 167.8 11.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -75.44 -39.68 58.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -87.96 9.69 21.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.473 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 2.4 m -99.79 130.75 25.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.542 0.686 . . . . 0.0 111.184 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 140.77 43.62 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 50' ' ' LEU . 50.9 mt -56.65 -21.01 24.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 47' ' ' LEU . 91.4 p -35.67 -50.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -65.29 -40.92 94.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.551 HD11 ' CD2' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -61.37 -57.39 12.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.428 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 2.7 mtt -53.38 -47.46 69.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -56.41 -51.07 69.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.69 -18.83 61.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.092 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -84.93 -33.04 22.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 45.3 m -77.57 -36.85 51.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.42 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 7.1 pt-20 -72.18 -44.01 63.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.42 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 49.5 ttt180 -48.1 -62.05 1.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -75.64 -49.4 18.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.52 37.19 1.21 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.522 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 mt -109.49 -179.54 3.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.822 0.344 . . . . 0.0 110.921 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.5 m -105.79 142.86 34.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.6 mtt -52.15 -48.76 64.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -63.17 -44.35 95.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -53.53 -37.27 62.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.1 pt -105.9 166.85 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -141.46 137.79 32.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.428 ' CE1' ' HB3' ' A' ' 51' ' ' MET . 96.8 m-85 -101.38 158.68 15.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -160.04 153.14 21.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.554 ' CD1' ' HE3' ' A' ' 85' ' ' MET . 77.0 t80 -140.13 112.35 7.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.9 t0 68.55 24.98 6.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.11 33.92 22.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -140.97 143.33 31.1 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.611 0.72 . . . . 0.0 110.9 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 116.39 4.54 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.361 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.1 pt -101.43 150.48 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -116.02 154.21 30.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -60.19 -34.13 73.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 77.3 p -64.28 -33.95 76.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.186 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -66.82 156.99 34.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.04 158.85 35.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.534 0.683 . . . . 0.0 111.158 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.473 ' CD ' ' O ' ' A' ' 45' ' ' THR . 53.5 Cg_endo -69.82 -15.22 36.77 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.86 -22.37 27.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.072 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -72.92 -35.36 67.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.5 mt -96.65 17.63 16.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 48.1 48.45 18.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.554 ' HE3' ' CD1' ' A' ' 69' ' ' PHE . 7.5 mtt -66.61 98.56 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -62.51 172.17 1.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -75.68 143.51 42.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 62.99 26.81 15.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -66.94 -174.91 0.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 93.2 m -138.87 128.38 24.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 11.1 mt -98.3 156.63 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -112.41 125.51 54.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.433 ' CG1' ' N ' ' A' ' 94' ' ' PHE . 89.6 t -145.42 159.29 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.433 ' N ' ' CG1' ' A' ' 93' ' ' VAL . 5.7 m-85 -121.7 114.47 21.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.934 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.773 0.321 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.461 ' CD1' ' HB2' ' A' ' 80' ' ' PRO . 5.9 pt -124.91 152.97 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -117.2 108.88 16.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.455 ' CD1' HD13 ' A' ' 91' ' ' ILE . 2.9 mt -103.16 128.04 50.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -91.71 112.95 25.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.3 t -90.46 129.03 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.112 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.855 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.7 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.891 0.377 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.446 HG11 ' CE1' ' A' ' 39' ' ' PHE . 21.7 t -113.42 122.66 67.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.114 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -98.36 163.04 12.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.571 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 96.5 m-85 -153.2 138.14 17.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -113.35 106.83 15.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.5 pt -129.81 178.74 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -94.5 166.89 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.9 mtm180 -71.0 -40.77 71.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -86.28 -4.9 59.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.443 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 3.4 m -83.87 127.94 65.21 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.704 . . . . 0.0 111.155 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 140.17 41.91 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 48' ' ' SER . 59.0 mt -58.09 -15.1 8.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 47' ' ' LEU . 68.6 p -35.75 -59.24 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -58.82 -47.26 85.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.571 ' CD1' ' CG ' ' A' ' 39' ' ' PHE . 1.2 tp -51.08 -57.26 9.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.458 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 2.7 mtt -52.31 -48.92 65.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -56.0 -53.3 58.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.7 -23.65 59.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.08 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -81.28 -38.81 26.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.4 ' SG ' ' N ' ' A' ' 56' ' ' GLU . 3.0 p -76.21 -40.16 52.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.4 ' N ' ' SG ' ' A' ' 55' ' ' CYS . 4.9 pt-20 -70.69 -41.65 71.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -50.28 -53.97 24.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -80.59 -47.52 14.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.35 27.09 2.73 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.0 mt -100.89 -179.77 4.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.0 m -108.91 155.05 21.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.3 mtt -74.03 -28.29 61.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -80.73 -3.41 50.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -103.25 -37.14 7.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 27.0 pt -100.22 173.12 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 -147.62 136.05 21.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.458 ' CZ ' ' HA ' ' A' ' 51' ' ' MET . 92.5 m-85 -99.59 152.43 20.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -159.75 147.63 17.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.553 ' CZ ' ' HE2' ' A' ' 85' ' ' MET . 29.9 t80 -137.21 116.12 12.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.9 t70 64.24 28.98 13.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.846 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.49 37.6 46.48 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.519 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -136.27 139.91 31.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.602 0.715 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 114.97 3.88 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.746 2.297 . . . . 0.0 112.31 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.3 pt -106.66 153.54 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -127.64 155.06 44.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -54.97 -33.04 62.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 61.1 p -68.38 -33.05 73.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -63.66 172.57 2.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.5 p -128.27 158.84 70.05 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.551 0.691 . . . . 0.0 111.134 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.461 ' HB2' ' CD1' ' A' ' 25' ' ' ILE . 54.3 Cg_endo -69.72 -28.5 25.35 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.675 2.25 . . . . 0.0 112.353 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.69 -20.93 59.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.057 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -77.13 -33.47 56.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.8 mt -85.07 9.59 14.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 65.91 44.33 2.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.553 ' HE2' ' CZ ' ' A' ' 69' ' ' PHE . 16.3 mtt -86.66 137.53 32.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.542 ' CD ' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -116.49 -62.89 1.52 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 89' ' ' ASP . 30.7 t70 -175.47 170.69 2.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 39.32 25.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 87' ' ' ASP . 24.0 m-20 -62.06 -175.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.7 m -138.68 126.56 22.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.455 HD13 ' CD1' ' A' ' 27' ' ' LEU . 6.0 mt -106.06 146.37 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -107.92 121.01 43.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.47 HG12 ' N ' ' A' ' 94' ' ' PHE . 61.9 t -140.85 141.55 31.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.47 ' N ' HG12 ' A' ' 93' ' ' VAL . 8.3 m-85 -106.66 109.77 21.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.929 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.558 ' CE1' ' HG2' ' A' ' 42' ' ' LYS . 22.0 m-70 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.759 0.314 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.446 ' CD1' ' HB2' ' A' ' 80' ' ' PRO . 23.6 pt -128.68 136.53 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -100.08 117.97 35.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.468 ' CD1' HD13 ' A' ' 91' ' ' ILE . 2.7 mt -110.48 124.52 51.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -91.04 110.82 22.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.5 t -90.17 134.76 28.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.877 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 77.0 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.853 0.359 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.7 t -109.2 122.11 63.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -101.04 156.91 17.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.598 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 92.1 m-85 -146.98 131.46 17.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -108.37 108.16 19.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.3 pt -130.15 -179.13 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.558 ' HG2' ' CE1' ' A' ' 24' ' ' HIS . 26.9 mttm -96.0 171.1 8.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -75.53 -40.39 57.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -85.66 -2.27 58.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.476 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 17.5 m -85.31 126.76 66.24 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.554 0.692 . . . . 0.0 111.166 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 132.49 23.5 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.682 2.255 . . . . 0.0 112.369 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 48' ' ' SER . 85.9 mt -44.13 -23.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' LEU . 9.5 t -34.56 -54.97 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.1 mtmm -61.51 -43.5 98.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.914 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.598 ' CD1' ' CG ' ' A' ' 39' ' ' PHE . 2.6 tp -57.24 -54.6 44.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.8 mtt -58.25 -51.95 67.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.2 mtpp -52.45 -34.65 49.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.29 -23.49 59.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.08 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.439 ' OH ' ' NE2' ' A' ' 95' ' ' GLN . 1.6 t80 -78.27 -48.43 15.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 9.9 p -60.45 -40.04 89.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.511 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 4.7 pt-20 -68.21 -48.74 64.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.511 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 10.9 ttm-85 -42.21 -48.75 4.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -93.03 -18.68 22.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.78 21.7 49.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.471 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.461 ' HB3' ' NE2' ' A' ' 64' ' ' GLN . 5.2 mt -96.39 -176.49 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.815 0.341 . . . . 0.0 110.924 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.7 t -103.2 139.9 38.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 35.8 mmm -51.06 -51.17 55.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -61.95 -35.92 79.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.461 ' NE2' ' HB3' ' A' ' 60' ' ' LEU . 17.9 tt0 -56.78 -42.19 78.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.509 HD12 ' CZ ' ' A' ' 67' ' ' PHE . 46.7 pt -100.71 152.02 5.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.44 ' HD3' ' N ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -112.14 155.02 24.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.509 ' CZ ' HD12 ' A' ' 65' ' ' ILE . 51.8 m-85 -125.75 151.05 47.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 92' ' ' ASP . 27.6 mtt180 -152.14 158.94 43.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.567 ' CE1' ' HE2' ' A' ' 85' ' ' MET . 25.0 t80 -148.36 108.62 4.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.0 t70 68.3 27.89 6.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.46 33.49 31.36 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -142.24 144.0 29.67 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 0.0 110.954 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 122.75 9.42 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.74 2.293 . . . . 0.0 112.302 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.9 pt -105.75 152.6 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -122.22 161.03 24.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -64.44 -29.29 70.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 58.5 p -68.85 -44.29 73.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.55 146.43 25.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.04 157.76 33.54 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.59 0.71 . . . . 0.0 111.138 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.476 ' CD ' ' O ' ' A' ' 45' ' ' THR . 53.4 Cg_endo -69.81 -10.72 29.2 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.24 . . . . 0.0 112.336 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -90.73 -25.07 20.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -71.39 -34.63 70.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.4 mt -93.3 7.51 44.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 59.83 43.55 14.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.567 ' HE2' ' CE1' ' A' ' 69' ' ' PHE . 7.3 mtp -67.96 106.41 2.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 10.5 pt-20 -90.4 165.35 13.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -59.08 148.33 31.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 65.41 37.21 6.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 86' ' ' GLU . 27.8 m-20 -80.74 -176.17 5.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 88.7 m -144.51 120.28 10.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.468 HD13 ' CD1' ' A' ' 27' ' ' LEU . 2.8 mt -99.65 148.03 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 68' ' ' ARG . 0.9 OUTLIER -105.51 120.73 42.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.462 HG22 ' CD2' ' A' ' 67' ' ' PHE . 14.4 t -142.41 155.01 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.459 ' N ' ' CG1' ' A' ' 93' ' ' VAL . 1.5 m-85 -139.79 109.41 6.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.498 ' CB ' ' CG2' ' A' ' 65' ' ' ILE . 7.6 pm0 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.788 0.328 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.1 pt -113.57 154.97 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -116.48 131.95 56.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 mt -119.8 130.86 55.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -94.64 116.36 28.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.443 HG22 ' CD1' ' A' ' 39' ' ' PHE . 19.9 t -94.96 123.5 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.121 179.843 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.9 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.858 0.361 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.4 t -115.58 124.04 71.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.492 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -97.24 164.34 12.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' A' ' 38' ' ' GLN . 70.5 m-85 -154.25 136.59 14.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.426 ' C ' ' HD2' ' A' ' 40' ' ' LYS . 0.5 OUTLIER -117.99 133.91 55.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.9 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.6 pt -147.74 -178.74 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -93.44 153.84 18.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.7 mtp85 -61.27 -31.36 71.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -96.66 4.78 51.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.9 m -95.7 129.91 33.22 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.599 0.714 . . . . 0.0 111.117 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 151.02 68.83 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.724 2.283 . . . . 0.0 112.324 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 44.6 mt -68.53 -11.68 60.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 p -41.72 -41.1 2.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.819 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -77.5 -47.99 18.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.492 ' CD1' ' CG ' ' A' ' 39' ' ' PHE . 1.0 OUTLIER -50.35 -51.41 45.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.486 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 16.9 mtt -56.47 -53.4 57.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -52.19 -50.39 61.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.9 -22.49 59.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.124 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -87.44 -22.77 24.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.458 ' HG ' ' N ' ' A' ' 56' ' ' GLU . 3.6 p -87.16 -34.1 19.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.458 ' N ' ' HG ' ' A' ' 55' ' ' CYS . 5.8 pt-20 -70.99 -45.68 63.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.457 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 9.9 ttt-85 -46.28 -51.14 15.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.407 ' HG3' ' NE2' ' A' ' 95' ' ' GLN . 57.4 mm-40 -86.73 -30.0 21.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.85 32.94 7.66 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -102.05 175.13 5.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.844 0.354 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 m -94.98 136.85 34.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.413 ' CE ' ' HB2' ' A' ' 51' ' ' MET . 2.7 ttt -50.65 -49.21 57.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.5 ptp85 -65.68 -20.89 66.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -74.69 -37.38 62.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.2 pt -101.35 155.25 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.8 tpp180 -126.5 144.83 50.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.486 ' CZ ' ' HA ' ' A' ' 51' ' ' MET . 16.2 m-85 -114.66 142.57 46.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -151.27 143.77 24.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.545 ' CE1' ' CG ' ' A' ' 70' ' ' ASP . 6.9 t80 -131.09 131.05 43.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.545 ' CG ' ' CE1' ' A' ' 69' ' ' PHE . 5.0 m-20 63.58 29.89 15.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.14 27.61 59.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -138.57 142.83 35.82 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 110.875 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 111.83 2.91 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.683 2.256 . . . . 0.0 112.342 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.407 ' CD1' ' HB3' ' A' ' 67' ' ' PHE . 2.3 pt -93.11 146.12 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -105.87 157.25 17.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -60.59 -37.18 80.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 77.6 p -62.6 -42.82 99.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.166 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -55.16 147.09 17.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.94 160.8 24.88 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.574 0.702 . . . . 0.0 111.157 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -23.93 30.33 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.82 -25.27 48.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -71.7 -37.13 70.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 mt -96.49 26.05 4.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 40.16 49.76 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.4 mtt -66.6 119.56 11.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -88.66 177.31 6.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -78.52 150.35 32.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 57.35 29.79 17.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -66.16 -175.97 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.0 m -140.51 120.5 13.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 92' ' ' ASP . 3.2 mt -100.49 146.1 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.41 ' N ' HG22 ' A' ' 91' ' ' ILE . 5.5 m-20 -105.73 123.64 48.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 74.1 t -139.44 146.59 25.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.445 ' N ' ' CD1' ' A' ' 94' ' ' PHE . 4.1 m-85 -105.11 113.95 27.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.407 ' NE2' ' HG3' ' A' ' 58' ' ' GLN . 25.0 mt-30 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 p 40.32 41.88 1.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 m -89.26 172.21 9.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.814 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.04 159.63 15.18 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.438 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.4 p -170.29 172.69 6.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 0.0 110.865 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -160.83 149.58 16.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.94 -83.94 0.26 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.5 tpp 61.89 38.04 14.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.755 0.312 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.91 76.63 0.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.066 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -159.16 108.83 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -102.17 34.78 2.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.435 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 2.9 mmmm 61.12 54.35 3.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.583 0.706 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 53.9 Cg_endo -69.75 90.57 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -159.07 164.62 35.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.5 mp0 -134.13 176.13 8.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -139.43 171.94 23.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.493 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.0 p -140.0 142.62 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.95 0.405 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -134.93 173.86 11.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.6 m -112.55 151.93 29.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.147 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -81.57 99.42 8.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -166.66 139.89 3.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -83.63 42.88 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -113.3 33.86 4.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.537 ' CE1' ' HG2' ' A' ' 42' ' ' LYS . 17.4 m-70 -136.48 161.99 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 32.1 pt -116.79 145.74 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -112.81 132.19 55.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.435 HD13 ' CD1' ' A' ' 91' ' ' ILE . 2.2 mt -119.51 132.6 55.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -91.04 112.96 25.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.7 t -90.99 128.71 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.115 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.68 135.54 48.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.095 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -162.75 -52.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.47 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -65.89 170.46 5.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.812 0.339 . . . . 0.0 110.94 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -84.08 27.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.35 33.26 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.471 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 t -142.78 126.65 17.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.935 0.397 . . . . 0.0 110.812 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.9 t -114.37 131.43 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.089 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.426 HG11 ' NE ' ' A' ' 57' ' ' ARG . 3.2 t -108.1 122.47 62.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -90.59 161.54 15.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.536 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 95.8 m-85 -151.64 125.34 9.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -104.99 111.95 24.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.0 pt -133.71 179.59 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.537 ' HG2' ' CE1' ' A' ' 24' ' ' HIS . 29.1 mttp -94.57 158.44 15.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -72.57 -18.26 61.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -112.24 35.62 3.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.44 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 51.7 m -128.06 137.17 30.25 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.595 0.712 . . . . 0.0 111.108 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 128.91 16.72 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 48' ' ' SER . 62.4 mt -48.29 -19.44 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 47' ' ' LEU . 88.2 p -34.68 -58.5 0.5 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -48.27 81.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.536 ' CD1' ' CG ' ' A' ' 39' ' ' PHE . 1.3 tp -53.35 -58.94 5.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.964 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.439 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 4.0 mtt -52.0 -59.73 4.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -41.35 -50.1 3.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.87 -36.47 79.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.023 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -61.73 -29.4 70.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 59' ' ' GLY . 85.5 m -77.51 -60.07 2.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 57' ' ' ARG . 7.4 pt-20 -47.42 -41.31 19.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.44 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 47.3 ttt85 -53.28 -50.15 65.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.465 ' HG3' ' NE2' ' A' ' 95' ' ' GLN . 79.1 mm-40 -95.77 -0.38 51.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 63.7 31.51 81.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.2 mt -100.86 -175.85 3.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.8 t -115.48 138.65 50.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.6 ttm -48.64 -42.34 34.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.9 mtm105 -64.36 -55.17 22.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -46.33 -43.62 16.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.9 pt -99.47 172.8 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -145.62 146.65 31.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.44 ' HB3' ' CD1' ' A' ' 74' ' ' ILE . 96.1 m-85 -108.94 158.46 17.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -160.67 155.21 23.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.562 ' CD1' ' HE1' ' A' ' 85' ' ' MET . 88.3 t80 -140.84 111.09 6.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.3 t70 68.94 25.53 6.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.89 34.93 26.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -140.8 145.44 39.87 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.583 0.706 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 118.83 5.91 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.44 ' CD1' ' HB3' ' A' ' 67' ' ' PHE . 3.2 pt -104.71 145.8 12.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.199 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -113.18 133.77 54.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -41.37 -35.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 68.1 p -60.43 -44.31 95.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.31 157.12 6.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.75 159.92 33.95 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.582 0.706 . . . . 0.0 111.162 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.44 ' CD ' ' O ' ' A' ' 45' ' ' THR . 53.9 Cg_endo -69.7 -14.1 35.77 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.387 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.14 -27.68 24.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.054 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -71.87 -37.17 70.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 21.3 mt -87.75 3.91 46.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 62.5 39.18 11.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.562 ' HE1' ' CD1' ' A' ' 69' ' ' PHE . 7.6 mtt -62.24 107.27 0.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.7 mp0 -77.61 179.42 6.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -79.48 145.11 33.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.84 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 62.51 40.29 10.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -85.59 -175.63 5.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.6 m -138.31 133.46 33.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.152 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.435 ' CD1' HD13 ' A' ' 27' ' ' LEU . 17.0 mt -98.24 157.97 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.23 120.78 43.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.8 t -145.69 153.78 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.416 ' N ' ' CD1' ' A' ' 94' ' ' PHE . 6.8 m-85 -118.25 110.21 17.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.465 ' NE2' ' HG3' ' A' ' 58' ' ' GLN . 15.0 mt-30 -93.69 104.25 16.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -87.24 145.37 26.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -85.93 99.48 11.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 25.3 p -132.22 89.53 2.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.7 p -60.38 154.46 20.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -115.74 146.24 18.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.45 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -41.5 4.24 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.658 2.239 . . . . 0.0 112.342 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.9 t -89.11 154.21 20.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.6 p -118.12 154.47 32.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.465 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.4 p -175.01 160.51 2.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 110.838 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.9 m -155.45 165.94 35.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.32 -170.57 17.7 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t -138.92 165.48 26.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.2 m -133.48 165.11 25.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.84 140.04 6.08 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.0 mmt -137.66 137.08 38.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.35 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.97 152.94 49.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.07 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -109.78 101.15 10.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -131.78 46.08 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.481 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 14.5 tppt? 54.98 52.09 7.99 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.562 0.696 . . . . 0.0 110.856 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 53.6 Cg_endo -69.81 0.06 6.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.669 2.246 . . . . 0.0 112.352 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -73.23 -47.76 40.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.859 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -54.17 -69.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.66 -179.25 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.7 t -125.44 142.91 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.898 0.38 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 19' ' ' THR . 7.3 tmtm? -113.39 60.25 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 18' ' ' LYS . 5.8 m 34.54 46.56 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -45.46 134.62 6.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.496 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 78.0 m-20 -116.38 169.49 9.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.946 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 23' ' ' ASP . 25.6 m-20 -88.69 -41.93 12.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 22' ' ' ASN . 24.2 t70 -34.85 -50.43 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.496 ' CD2' ' HB2' ' A' ' 21' ' ' ASN . 59.9 m-70 -53.45 166.2 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.6 pt -130.28 144.74 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -110.87 128.23 55.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.47 HD11 ' CD1' ' A' ' 91' ' ' ILE . 6.1 mt -115.95 133.07 56.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -90.92 113.03 25.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.458 HG13 ' CE1' ' A' ' 54' ' ' TYR . 16.7 t -89.9 117.1 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.149 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.09 123.06 44.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -104.95 145.3 15.9 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.522 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -46.07 -33.05 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 110.881 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 34' ' ' GLY . 63.9 m-20 -86.71 49.01 1.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 33' ' ' ASP . . . 34.71 51.97 0.8 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.3 t -119.04 120.59 37.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.884 0.373 . . . . 0.0 110.881 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 85.8 t -107.64 119.55 57.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.426 HG12 ' CE1' ' A' ' 39' ' ' PHE . 13.5 t -128.15 122.67 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.4 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 26.3 mt-30 -92.37 163.32 13.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.526 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 88.9 m-85 -153.72 123.36 6.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.407 ' C ' HG22 ' A' ' 41' ' ' ILE . 1.7 ttpm? -103.57 109.45 21.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.407 HG22 ' C ' ' A' ' 40' ' ' LYS . 10.6 pt -133.4 178.52 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -90.76 168.62 11.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.2 mmt85 -77.57 -34.41 53.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -98.29 37.98 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.43 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 30.4 m -126.35 134.66 26.21 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.587 0.708 . . . . 0.0 111.149 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 129.83 18.24 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.664 2.243 . . . . 0.0 112.362 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 50' ' ' LEU . 54.0 mt -51.98 -16.46 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 47' ' ' LEU . 3.2 p -36.4 -40.79 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -77.11 -41.64 41.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.526 ' CD1' ' CG ' ' A' ' 39' ' ' PHE . 1.1 tp -58.95 -53.61 56.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 1.8 mtt -59.01 -54.54 45.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.46 ' N ' ' HE1' ' A' ' 62' ' ' MET . 37.7 mttt -51.02 -44.91 61.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.83 -23.0 67.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.458 ' CE1' HG13 ' A' ' 29' ' ' VAL . 68.8 t80 -80.06 -46.18 16.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 15.3 p -68.5 -37.52 80.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 6.0 pt-20 -69.45 -45.53 68.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.457 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 18.8 ttt-85 -42.57 -50.41 5.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -87.73 -45.31 10.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.28 32.96 2.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 mt -100.27 173.69 6.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.82 0.343 . . . . 0.0 110.936 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.0 m -88.59 137.67 32.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.823 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.46 ' HE1' ' N ' ' A' ' 52' ' ' LYS . 0.3 OUTLIER -60.81 -24.82 66.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.4 ptt-85 -82.04 -24.87 35.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -76.58 -41.59 45.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.421 ' CD1' ' CE1' ' A' ' 67' ' ' PHE . 2.6 pp -104.03 160.59 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.0 mmt-85 -140.36 167.91 21.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 51' ' ' MET . 21.8 m-85 -123.1 154.49 38.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -151.45 157.6 42.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.56 ' CD1' ' HE1' ' A' ' 85' ' ' MET . 42.0 t80 -145.55 121.51 10.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.1 t0 58.52 30.28 19.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.78 33.34 42.43 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.457 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -142.31 142.16 23.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.602 0.715 . . . . 0.0 110.937 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 118.01 5.42 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.683 2.256 . . . . 0.0 112.342 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.4 pt -100.15 147.3 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -110.85 154.86 23.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -62.02 -39.54 92.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 82.4 p -60.33 -29.54 68.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.62 158.42 36.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.831 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.77 159.86 35.67 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.638 0.732 . . . . 0.0 111.136 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.43 ' CD ' ' O ' ' A' ' 45' ' ' THR . 53.9 Cg_endo -69.69 -17.49 37.88 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.701 2.268 . . . . 0.0 112.358 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.08 -26.08 31.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.07 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -72.92 -31.73 64.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.4 mt -98.82 19.75 14.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 47.16 40.75 10.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.56 ' HE1' ' CD1' ' A' ' 69' ' ' PHE . 5.9 mtt -61.57 99.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 54.4 mt-10 -74.79 166.62 23.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -67.36 165.58 16.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 50.23 28.65 3.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 86' ' ' GLU . 5.7 m-20 -75.32 -175.74 2.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 96.9 m -147.07 126.92 13.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.166 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.47 ' CD1' HD11 ' A' ' 27' ' ' LEU . 7.9 mt -98.23 153.8 3.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.145 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -112.42 120.75 42.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.417 HG12 ' CE2' ' A' ' 54' ' ' TYR . 53.5 t -135.23 151.68 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 94' ' ' PHE . 5.6 m-85 -114.33 109.45 18.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -96.98 104.83 16.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -73.8 134.42 43.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -59.66 110.14 1.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.6 t -63.72 159.58 18.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.9 p -114.95 140.19 49.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 117.75 169.83 14.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.5 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 137.27 34.88 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.628 2.219 . . . . 0.0 112.325 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 80.7 p -170.8 176.85 4.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.824 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.1 m -118.74 -61.76 1.61 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t -54.68 -47.42 73.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.918 0.39 . . . . 0.0 110.891 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.1 p -54.87 134.7 48.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.837 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.16 159.34 14.61 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -154.15 106.26 2.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.369 . . . . 0.0 110.883 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.7 t -127.57 166.36 18.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.39 129.11 36.42 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.543 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.19 137.93 53.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -171.21 123.14 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -121.23 85.22 2.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 12' ' ' LYS . 0.9 OUTLIER -102.87 49.29 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.452 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 15.0 ptpt 34.33 54.03 1.53 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.452 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 53.7 Cg_endo -69.79 0.4 5.73 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.706 2.27 . . . . 0.0 112.335 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -72.64 94.26 1.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -154.03 156.92 38.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.52 128.22 4.75 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.494 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.8 p -85.29 141.03 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.933 0.397 . . . . 0.0 111.133 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -81.6 -46.09 14.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.3 p -98.02 131.07 44.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -118.08 92.98 3.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -59.22 -48.41 81.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.433 ' HB3' ' CD2' ' A' ' 24' ' ' HIS . 5.0 m120 -92.43 170.8 9.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.595 ' O ' ' CD2' ' A' ' 24' ' ' HIS . 6.9 m-20 -99.99 114.4 27.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.595 ' CD2' ' O ' ' A' ' 23' ' ' ASP . 40.6 m-70 -159.75 170.93 20.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.0 pt -127.86 148.77 32.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -116.55 130.85 56.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.458 ' CD1' HD12 ' A' ' 91' ' ' ILE . 3.6 mt -116.58 131.51 56.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -91.03 111.57 23.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.522 ' CG1' ' CG2' ' A' ' 93' ' ' VAL . 7.5 t -90.11 125.12 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.12 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.47 144.01 32.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -174.13 -42.25 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.502 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -76.88 164.89 25.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.758 0.313 . . . . 0.0 110.954 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -83.69 31.51 0.47 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.83 31.93 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.455 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.9 t -146.24 133.93 21.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.913 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.9 t -125.39 132.42 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.152 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.447 HG11 ' CE1' ' A' ' 39' ' ' PHE . 23.7 t -107.89 122.37 62.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -91.41 162.18 14.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.602 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 91.3 m-85 -152.81 122.5 6.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.1 tttm -105.12 110.06 22.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.7 pt -132.5 177.14 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.2 mttp -89.11 157.31 18.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.0 mtp180 -63.7 -38.74 92.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.51 ' CG ' ' O ' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -95.43 41.23 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.446 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 3.2 m -123.77 133.25 24.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.591 0.71 . . . . 0.0 111.109 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.402 ' C ' ' N ' ' A' ' 48' ' ' SER . 54.0 Cg_endo -69.72 122.19 8.88 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 48' ' ' SER . 72.4 mt -44.54 -22.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 47' ' ' LEU . 46.5 t -34.32 -61.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -54.65 -46.76 74.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.602 ' CD1' ' CG ' ' A' ' 39' ' ' PHE . 2.8 tp -55.56 -57.73 10.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.497 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 2.3 mtt -55.1 -66.38 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' MET . 42.7 mttt -38.12 -46.62 1.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.64 -36.89 85.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.494 ' N ' ' O ' ' A' ' 51' ' ' MET . 87.5 t80 -58.52 -29.61 66.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 59' ' ' GLY . 86.3 m -77.21 -57.37 3.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.839 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.407 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 5.2 pt-20 -53.3 -42.38 66.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.407 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 50.7 ttt180 -51.41 -49.67 61.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -99.35 5.04 46.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 56.61 35.92 69.1 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.483 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 75.5 mt -98.6 178.73 4.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.856 0.36 . . . . 0.0 110.934 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.2 m -102.19 131.1 48.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.2 tpt -52.86 -55.61 21.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.4 ' C ' ' HD3' ' A' ' 63' ' ' ARG . 0.1 OUTLIER -58.47 -40.03 81.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.851 -179.877 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -60.6 -35.03 75.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.5 pt -103.3 168.21 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 31.9 mmt-85 -144.41 155.45 43.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.497 ' CE1' ' HB3' ' A' ' 51' ' ' MET . 95.0 m-85 -117.07 152.15 35.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -154.45 157.0 37.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.485 ' CD1' ' HE2' ' A' ' 85' ' ' MET . 55.3 t80 -144.09 129.78 19.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.4 t0 50.59 26.5 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.59 36.01 30.89 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -140.22 145.41 41.49 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.609 0.719 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 116.12 4.41 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.718 2.279 . . . . 0.0 112.326 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.425 ' CD1' ' HB3' ' A' ' 67' ' ' PHE . 9.6 pt -100.84 155.77 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -122.42 150.04 43.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -58.75 -33.39 70.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.7 p -67.86 -27.36 66.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -72.63 156.54 38.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -114.71 159.63 36.45 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.637 0.732 . . . . 0.0 111.117 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.446 ' CD ' ' O ' ' A' ' 45' ' ' THR . 53.5 Cg_endo -69.76 -15.14 36.94 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.721 2.281 . . . . 0.0 112.282 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.68 -23.87 27.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.086 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -76.02 -32.96 59.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.0 mt -95.51 7.59 45.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 60.66 36.22 19.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.485 ' HE2' ' CD1' ' A' ' 69' ' ' PHE . 7.1 mtt -57.42 99.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -71.69 177.41 4.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -77.42 152.82 34.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 59.19 27.16 16.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -72.2 173.57 8.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.5 m -131.61 129.84 41.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.458 HD12 ' CD1' ' A' ' 27' ' ' LEU . 13.0 mt -98.35 152.83 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.429 ' N ' HG21 ' A' ' 91' ' ' ILE . 39.1 m-20 -106.01 120.71 42.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.522 ' CG2' ' CG1' ' A' ' 29' ' ' VAL . 59.4 t -144.13 143.47 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.47 ' N ' HG11 ' A' ' 93' ' ' VAL . 38.5 m-85 -109.69 109.45 20.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -89.69 103.29 15.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -67.47 139.82 57.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -61.27 105.28 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 27.8 m -38.02 117.12 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.3 p -80.92 82.9 6.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 65.28 86.96 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 109.27 2.26 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.728 2.285 . . . . 0.0 112.368 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.7 m 56.91 38.46 29.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 89.8 p -130.5 175.29 9.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.503 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -153.92 175.24 13.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.378 . . . . 0.0 110.883 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.5 p -163.58 165.63 23.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.73 178.08 18.37 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.9 m -157.95 159.84 36.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 110.873 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.0 p -135.58 171.59 14.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.01 173.29 16.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 ttt -112.16 144.95 40.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.783 0.325 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -93.46 94.19 8.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -72.32 97.17 1.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -93.76 59.0 2.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.466 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 5.4 mtmp? 46.58 52.89 12.51 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.569 0.7 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 53.8 Cg_endo -69.75 80.52 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.688 2.259 . . . . 0.0 112.356 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -149.99 152.23 34.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -167.4 150.94 6.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -113.94 108.62 2.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.8 t -107.86 102.68 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.365 . . . . 0.0 111.114 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.8 118.76 32.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.5 m -94.69 128.33 41.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.171 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -96.21 -42.2 8.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -144.83 158.96 43.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -91.1 51.51 1.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.524 ' C ' ' CD2' ' A' ' 24' ' ' HIS . 2.5 m-20 -100.01 32.8 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.524 ' CD2' ' C ' ' A' ' 23' ' ' ASP . 1.0 OUTLIER -153.12 155.22 36.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.424 ' CD1' ' HB2' ' A' ' 80' ' ' PRO . 39.8 pt -125.71 140.68 47.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.509 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -89.1 139.09 30.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.412 ' CD1' HD12 ' A' ' 91' ' ' ILE . 3.5 mt -135.22 121.95 20.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -92.05 111.72 23.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.7 t -92.01 134.59 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.41 124.07 44.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -160.42 -50.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.47 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.457 ' OE1' ' CB ' ' A' ' 35' ' ' SER . 17.7 mt-30 -49.11 176.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.769 0.319 . . . . 0.0 110.969 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -83.27 20.54 1.27 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 145.31 39.8 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.516 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.457 ' CB ' ' OE1' ' A' ' 32' ' ' GLN . 1.1 t -145.43 120.23 9.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.931 0.396 . . . . 0.0 110.873 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.4 t -99.88 126.25 53.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.5 t -107.51 122.1 61.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -95.52 152.64 18.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.5 ' CD2' HD12 ' A' ' 50' ' ' LEU . 72.6 m-85 -140.64 126.06 18.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.9 tttt -106.84 102.11 11.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.3 pt -122.25 171.68 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.417 ' HD3' ' NE2' ' A' ' 44' ' ' HIS . 16.3 mtpt -79.46 139.79 37.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.422 ' HD2' ' C ' ' A' ' 43' ' ' ARG . 1.2 ppt_? -58.11 -20.62 41.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.417 ' NE2' ' HD3' ' A' ' 42' ' ' LYS . 2.6 p-80 -103.98 1.57 31.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.407 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 1.8 m -93.22 131.8 32.07 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 111.147 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 132.06 22.59 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.669 2.246 . . . . 0.0 112.374 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 48' ' ' SER . 36.4 mt -46.59 -20.6 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' LEU . 79.9 p -34.36 -54.62 0.52 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -65.36 -46.3 80.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.5 HD12 ' CD2' ' A' ' 39' ' ' PHE . 1.0 OUTLIER -53.16 -58.03 8.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.963 179.849 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.409 ' C ' ' HE1' ' A' ' 62' ' ' MET . 2.6 mtt -52.73 -52.05 57.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.462 ' N ' ' HE1' ' A' ' 62' ' ' MET . 10.8 mtpp -53.69 -32.9 53.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.13 -25.35 42.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.482 ' CE1' HG12 ' A' ' 93' ' ' VAL . 55.1 t80 -80.18 -36.68 34.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 16.0 p -75.18 -35.3 61.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -75.2 -41.56 57.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -49.66 -48.96 49.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -87.22 -46.29 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.63 28.3 3.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 mt -101.33 172.86 6.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.342 . . . . 0.0 110.95 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.9 t -96.19 146.67 24.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.462 ' HE1' ' N ' ' A' ' 52' ' ' LYS . 3.6 mmt -59.27 -42.47 91.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -30.02 69.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -70.23 -38.74 75.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 37.7 pt -102.95 158.92 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.3 mmt-85 -138.16 128.11 25.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -90.62 148.01 22.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -150.43 155.28 39.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.569 ' CE1' ' HE3' ' A' ' 85' ' ' MET . 78.4 t80 -145.68 108.49 4.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.2 t70 72.83 26.42 2.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.32 35.24 34.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.502 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -140.56 142.87 30.51 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.64 0.733 . . . . 0.0 110.919 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 120.43 7.23 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.652 2.235 . . . . 0.0 112.355 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.6 pt -105.62 144.35 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -116.29 147.21 41.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -49.7 -41.99 44.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.3 p -54.77 -42.61 71.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -63.13 145.47 55.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.64 160.53 26.25 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.556 0.693 . . . . 0.0 111.198 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.424 ' HB2' ' CD1' ' A' ' 25' ' ' ILE . 53.7 Cg_endo -69.71 -17.78 37.6 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.38 -30.12 27.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.47 -40.7 93.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 mt -84.44 5.38 27.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 60.93 43.47 11.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.569 ' HE3' ' CE1' ' A' ' 69' ' ' PHE . 10.7 mtp -71.57 106.68 4.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 16.3 pt-20 -84.76 167.58 15.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -61.42 146.68 47.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 67.47 36.55 3.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 86' ' ' GLU . 17.8 m-20 -81.16 -176.15 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.838 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 96.6 m -140.68 126.48 19.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.412 HD12 ' CD1' ' A' ' 27' ' ' LEU . 6.8 mt -100.17 145.55 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -105.84 121.41 43.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.482 HG12 ' CE1' ' A' ' 54' ' ' TYR . 91.3 t -141.66 151.58 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -112.31 112.08 23.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -90.93 109.64 20.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -81.43 115.56 20.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.845 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -62.62 104.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 32.1 p -73.24 93.39 1.87 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.8 t -114.47 90.55 3.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 158.44 165.96 16.7 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 178.56 4.44 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.1 t 67.05 42.29 2.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.2 m -103.68 83.6 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.511 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t 49.47 51.24 16.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.895 0.379 . . . . 0.0 110.889 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 m -92.52 173.6 7.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.856 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.35 -79.29 0.26 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.4 p 43.76 49.84 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 0.0 110.866 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 p -112.89 169.83 8.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.421 ' C ' ' SD ' ' A' ' 8' ' ' MET . . . 145.44 115.24 0.95 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.421 ' SD ' ' C ' ' A' ' 7' ' ' GLY . 4.7 mpp? -141.2 160.37 40.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -142.45 176.12 9.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -129.49 76.83 1.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -97.98 -22.45 16.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.48 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 13.4 mtpp -62.54 -59.97 11.26 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.579 0.704 . . . . 0.0 110.851 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 53.5 Cg_endo -69.78 1.89 4.04 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.716 2.277 . . . . 0.0 112.312 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.04 134.88 33.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -140.16 173.69 11.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -143.27 144.0 13.17 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.463 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.0 t -102.95 118.61 50.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 111.136 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.5 tttp -116.65 123.9 48.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.0 m -115.92 153.79 30.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -114.9 -27.54 7.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -56.4 -59.88 4.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -63.06 167.01 5.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.43 132.64 37.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -136.32 159.49 41.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.7 pt -119.2 151.48 21.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -116.22 130.26 56.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 mt -118.3 131.18 56.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.3 mttt -93.55 116.71 29.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.0 t -94.08 131.78 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.42 140.79 41.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -146.36 -156.07 6.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.499 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -79.2 148.2 32.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.827 0.346 . . . . 0.0 110.915 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 34' ' ' GLY . 5.7 t70 72.54 44.1 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 33' ' ' ASP . . . 35.78 44.85 0.73 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.6 t -97.21 122.95 40.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 110.88 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.2 t -116.55 114.3 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.125 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.521 HG12 ' CE1' ' A' ' 39' ' ' PHE . 3.8 t -111.19 123.36 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -94.16 159.35 15.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.521 ' CE1' HG12 ' A' ' 37' ' ' VAL . 93.3 m-85 -150.35 127.86 11.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.7 tttp -110.97 110.62 21.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.8 pt -129.85 178.13 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.142 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -88.15 159.04 18.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -72.69 -13.41 61.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -113.66 19.35 16.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.4 m -111.01 132.11 21.83 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 111.132 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 131.74 21.86 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 48' ' ' SER . 27.0 mt -49.41 -19.28 0.5 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.957 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 47' ' ' LEU . 89.8 p -35.5 -52.6 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -66.97 -41.16 87.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -56.5 -57.18 13.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 67' ' ' PHE . 3.6 mtt -53.78 -57.76 9.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -43.19 -56.21 3.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.91 -38.24 64.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.111 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -67.46 -23.9 65.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 78.9 m -85.63 -43.06 13.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -70.14 -42.61 72.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.7 ttm-85 -47.69 -45.28 28.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.445 ' HG3' ' NE2' ' A' ' 95' ' ' GLN . 35.0 mm-40 -90.7 -59.12 2.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 131.64 30.06 0.56 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mt -108.15 176.68 5.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.34 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 t -102.87 169.62 8.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 58.7 mmm -79.08 -45.19 20.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -3.93 25.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 96' ' ' GLN . 24.4 tt0 -95.84 -31.42 13.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.468 HD11 ' CZ ' ' A' ' 67' ' ' PHE . 7.6 pt -113.6 164.71 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -134.77 147.87 50.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 51' ' ' MET . 77.0 m-85 -111.27 144.99 39.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 24.6 mtt-85 -138.15 152.06 48.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.61 ' CD1' ' CE ' ' A' ' 85' ' ' MET . 66.3 t80 -142.87 106.02 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.5 t0 69.62 28.83 4.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.86 29.27 43.04 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -141.77 146.01 39.29 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.631 0.729 . . . . 0.0 110.877 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 128.61 16.3 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 pt -112.34 135.75 50.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.124 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.447 ' OD1' ' CG ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER -98.05 150.16 21.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -58.14 -30.01 66.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 59.7 p -68.5 -43.08 77.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.172 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.447 ' CG ' ' OD1' ' A' ' 75' ' ' ASN . 29.2 m-20 -55.26 151.99 8.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.35 160.81 27.05 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.563 0.696 . . . . 0.0 111.141 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -20.28 34.91 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.656 2.237 . . . . 0.0 112.355 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.37 -30.58 42.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.93 -40.91 95.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.6 mt -90.35 9.17 29.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 85' ' ' MET . 8.3 mt-10 55.36 33.56 21.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.61 ' CE ' ' CD1' ' A' ' 69' ' ' PHE . 3.3 mmt -37.05 119.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -78.89 162.71 25.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.57 133.84 44.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 64.38 33.93 10.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -68.24 -174.99 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.9 m -135.72 123.41 22.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.152 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.8 mt -98.56 144.56 11.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -106.3 123.43 48.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.437 ' CG1' ' N ' ' A' ' 94' ' ' PHE . 91.4 t -140.01 158.55 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.523 ' CD1' ' N ' ' A' ' 94' ' ' PHE . 1.0 OUTLIER -119.1 121.19 39.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.445 ' NE2' ' HG3' ' A' ' 58' ' ' GLN . 31.5 mt-30 -101.21 108.16 19.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.439 ' O ' ' NE2' ' A' ' 64' ' ' GLN . 40.4 tt0 -104.75 119.11 38.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -39.13 125.57 1.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 92.6 m -78.24 127.91 32.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.0 t -91.71 106.94 18.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -173.54 -175.95 41.65 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 102' ' ' SER . 53.5 Cg_endo -69.76 -1.13 7.95 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.645 2.23 . . . . 0.0 112.337 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 101' ' ' PRO . 1.1 t -36.07 118.6 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.2 t -129.05 -175.11 3.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m -111.43 42.75 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 110.849 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.5 p -40.83 -53.54 2.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.99 135.45 2.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.531 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -62.52 -34.09 76.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.872 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m 52.2 46.47 26.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.44 -120.42 1.33 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.459 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 ttt -80.23 115.86 20.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.851 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.64 86.53 6.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -112.55 88.67 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 12' ' ' LYS . 32.8 mt-10 -91.38 42.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.447 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.1 OUTLIER 36.98 53.7 2.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.632 0.73 . . . . 0.0 110.929 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 53.6 Cg_endo -69.75 119.52 6.45 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 2.252 . . . . 0.0 112.313 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.447 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.7 OUTLIER -154.82 172.63 17.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -85.57 176.25 8.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -133.37 129.79 5.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.4 p -129.88 130.72 66.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.93 0.395 . . . . 0.0 111.12 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.434 ' N ' ' HD2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -79.05 124.14 27.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.4 p -101.09 169.7 8.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -109.42 87.41 2.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -124.58 179.69 4.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -117.25 -179.69 3.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 t70 73.83 31.54 1.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.542 ' CE1' ' HG2' ' A' ' 42' ' ' LYS . 15.2 m-70 -100.54 160.32 14.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 16.6 pt -116.96 143.49 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -106.94 124.94 50.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.454 ' CD1' HD11 ' A' ' 91' ' ' ILE . 2.2 mt -115.28 125.85 53.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -90.92 115.44 27.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.5 t -92.1 113.32 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.05 126.0 36.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.062 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.49 161.83 12.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.488 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -58.72 -35.8 73.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.338 . . . . 0.0 110.888 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -52.77 -38.76 61.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.76 -39.34 2.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.541 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.5 m -58.68 177.48 0.14 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.925 0.393 . . . . 0.0 110.843 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 87.8 t -140.32 124.91 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.109 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.451 HG13 ' CE1' ' A' ' 39' ' ' PHE . 14.6 t -107.25 121.98 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -96.71 161.55 13.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.603 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 96.9 m-85 -150.56 136.58 18.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -118.58 105.82 12.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.9 pt -128.24 177.47 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.542 ' HG2' ' CE1' ' A' ' 24' ' ' HIS . 36.8 mttp -88.55 160.54 17.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -67.86 -37.75 82.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -84.08 -7.7 59.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.482 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 13.7 m -83.73 130.33 56.01 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.552 0.692 . . . . 0.0 111.143 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 137.82 36.38 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.253 . . . . 0.0 112.343 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 48' ' ' SER . 69.5 mt -51.55 -21.26 2.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 47' ' ' LEU . 8.9 t -34.96 -62.27 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.9 mmtm -53.12 -45.37 68.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.603 ' CD1' ' CG ' ' A' ' 39' ' ' PHE . 1.3 tp -57.32 -61.37 2.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.971 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.444 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 2.4 mtt -49.32 -68.21 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -37.84 -52.92 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.22 -45.31 68.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -53.95 -29.64 43.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 7.7 m -77.61 -59.56 2.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -53.73 -41.21 66.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 44.6 ttm-85 -44.98 -46.84 11.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -95.19 -57.8 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.54 32.99 0.5 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.492 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mt -107.81 178.35 4.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.35 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 t -92.69 135.54 34.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.74 -30.98 57.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -77.12 -48.02 18.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -47.78 -41.09 22.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.539 HD13 ' CZ ' ' A' ' 67' ' ' PHE . 31.1 pt -97.8 156.49 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -130.31 150.06 51.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.539 ' CZ ' HD13 ' A' ' 65' ' ' ILE . 89.9 m-85 -116.16 146.76 42.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.468 ' CG ' ' HB3' ' A' ' 92' ' ' ASP . 9.6 ptt180 -153.41 141.12 19.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.561 ' CD1' ' HE1' ' A' ' 85' ' ' MET . 48.3 t80 -126.22 130.85 51.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.0 t70 62.9 32.91 15.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.03 28.87 63.64 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.505 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -141.34 146.65 43.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.592 0.71 . . . . 0.0 110.907 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 112.25 3.03 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.646 2.231 . . . . 0.0 112.337 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.456 ' CG2' HD11 ' A' ' 83' ' ' LEU . 3.8 pt -93.79 148.71 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -114.15 144.96 42.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.416 ' HB2' ' CB ' ' A' ' 48' ' ' SER . 13.1 pt-20 -49.74 -43.19 47.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 69.9 p -51.83 -48.2 64.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -57.08 156.37 7.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.59 158.21 36.14 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.595 0.712 . . . . 0.0 111.102 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.482 ' CD ' ' O ' ' A' ' 45' ' ' THR . 53.9 Cg_endo -69.75 -10.47 28.65 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.638 2.226 . . . . 0.0 112.369 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -90.45 -28.77 18.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -68.93 -35.93 77.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.957 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.456 HD11 ' CG2' ' A' ' 74' ' ' ILE . 8.7 mt -90.13 3.3 53.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 61.93 36.4 15.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.561 ' HE1' ' CD1' ' A' ' 69' ' ' PHE . 5.7 mtt -51.18 106.74 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -72.24 171.59 11.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -69.43 155.22 40.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 11.0 pt-20 43.72 38.56 2.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -66.15 -175.25 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 85.2 m -141.7 118.9 11.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.454 HD11 ' CD1' ' A' ' 27' ' ' LEU . 4.7 mt -98.21 147.26 6.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.468 ' HB3' ' CG ' ' A' ' 68' ' ' ARG . 2.9 t70 -108.81 120.84 43.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 90.9 t -132.19 156.17 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.474 ' CD1' ' N ' ' A' ' 94' ' ' PHE . 2.5 m-85 -114.45 109.58 18.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -92.48 104.02 16.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -71.71 158.21 36.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.948 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -93.65 107.08 18.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.5 t -99.49 131.9 45.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.4 t -56.94 115.71 2.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 105.62 65.07 0.65 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 141.76 46.2 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.34 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 68.7 p -114.48 94.25 4.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 34.1 m -158.0 140.72 14.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.95 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 t -166.17 144.26 5.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 110.852 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.3 m -63.09 -56.96 12.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.99 173.37 14.07 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.451 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -168.4 151.44 5.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.922 0.391 . . . . 0.0 110.851 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -121.53 171.29 8.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.57 -154.18 6.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -83.25 124.83 30.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.84 107.49 19.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -83.09 46.54 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -79.32 -57.4 3.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.479 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 27.6 mtmt -39.48 -59.88 1.46 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.59 0.709 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 53.1 Cg_endo -69.8 154.64 67.36 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.327 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.3 mttp 55.38 41.51 31.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -79.4 127.27 31.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.79 81.65 0.57 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.0 p -154.87 123.62 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.917 0.389 . . . . 0.0 111.147 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -126.88 157.93 38.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 36.2 p -78.03 50.0 0.85 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -101.26 172.31 7.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -99.5 122.97 43.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.72 122.95 16.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.14 -61.03 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -76.52 162.56 27.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.836 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.8 pt -125.52 144.96 33.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -112.57 115.15 28.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.473 ' CD1' HD11 ' A' ' 91' ' ' ILE . 6.8 mt -103.48 130.61 50.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -91.08 112.15 23.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.8 t -93.07 130.98 41.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.92 128.57 54.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.12 -37.16 0.48 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -131.55 167.91 18.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 110.932 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -85.11 28.68 0.7 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -166.17 24.0 0.14 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.4 t -158.92 152.45 22.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.864 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 76.7 t -148.56 135.16 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.182 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 t -117.78 121.9 68.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -101.1 163.5 12.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.595 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 91.7 m-85 -153.46 124.62 7.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -108.33 111.07 22.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.2 pt -132.1 178.32 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -88.68 159.63 17.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.2 ptt85 -66.66 -33.42 75.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -89.24 -8.08 54.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.473 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 2.4 m -82.29 130.62 58.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.577 0.703 . . . . 0.0 111.143 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 150.8 68.79 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.697 2.265 . . . . 0.0 112.34 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 70.8 mt -66.43 -17.86 65.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.414 ' CB ' ' HB2' ' A' ' 76' ' ' GLU . 13.9 t -39.17 -54.87 1.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.9 mttm -61.37 -42.64 99.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.595 ' CD1' ' CG ' ' A' ' 39' ' ' PHE . 1.0 OUTLIER -57.59 -59.92 4.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.553 ' HG2' ' CD1' ' A' ' 67' ' ' PHE . 3.2 mtt -48.51 -56.38 8.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -50.17 -43.49 52.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.62 -21.79 65.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.069 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 81.8 t80 -86.5 -34.8 19.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.7 p -76.43 -31.57 57.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 4.8 pt-20 -78.8 -43.37 25.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.421 ' HG2' ' NE2' ' A' ' 58' ' ' GLN . 34.5 ttm-85 -45.63 -35.74 4.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.421 ' NE2' ' HG2' ' A' ' 57' ' ' ARG . 73.0 mm-40 -102.52 -53.84 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 125.99 28.88 0.99 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.425 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mt -101.48 173.76 6.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.3 m -99.46 139.34 35.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.47 ' CE ' ' HB2' ' A' ' 51' ' ' MET . 1.2 ttt -44.76 -52.97 7.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.5 ptt-85 -60.41 -50.92 71.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -43.76 -44.11 6.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.5 pt -99.89 168.19 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -146.7 138.62 24.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.553 ' CD1' ' HG2' ' A' ' 51' ' ' MET . 89.0 m-85 -101.09 160.67 14.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' A' ' 67' ' ' PHE . 31.7 mtt180 -163.39 140.34 7.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.569 ' CZ ' ' HE2' ' A' ' 85' ' ' MET . 27.3 t80 -124.79 107.22 10.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.3 t0 74.35 26.43 1.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.45 31.44 37.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -134.15 142.51 43.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.541 0.686 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 123.64 10.27 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.682 2.254 . . . . 0.0 112.329 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 pt -114.73 136.78 50.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -102.63 154.7 18.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.414 ' HB2' ' CB ' ' A' ' 48' ' ' SER . 7.9 pt-20 -57.45 -43.59 84.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 77.7 p -56.72 -35.62 68.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.16 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.1 159.08 15.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.85 160.14 37.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.565 0.697 . . . . 0.0 111.118 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.473 ' CD ' ' O ' ' A' ' 45' ' ' THR . 53.2 Cg_endo -69.79 -14.78 36.48 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.72 2.28 . . . . 0.0 112.304 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.54 -26.89 27.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -73.4 -29.04 62.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.2 mt -87.69 3.61 47.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 62.8 47.25 4.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.569 ' HE2' ' CZ ' ' A' ' 69' ' ' PHE . 7.8 mtt -79.24 130.06 35.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.406 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 17.6 mt-10 -94.8 -71.2 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 86' ' ' GLU . 3.5 m-20 -175.68 162.61 2.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 43.26 29.51 0.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.0 124.78 27.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.5 m -78.22 131.33 37.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.473 HD11 ' CD1' ' A' ' 27' ' ' LEU . 13.2 mt -98.16 151.75 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.435 ' N ' HG23 ' A' ' 91' ' ' ILE . 8.2 t70 -109.82 120.74 43.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.414 ' CG1' ' N ' ' A' ' 94' ' ' PHE . 59.4 t -138.67 160.16 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.414 ' N ' ' CG1' ' A' ' 93' ' ' VAL . 5.8 m-85 -124.79 109.45 13.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -91.45 104.79 17.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -75.53 111.36 10.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -78.69 83.79 4.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 12.3 t -73.24 144.37 46.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 49.4 m -127.11 104.74 8.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 173.72 155.12 11.38 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 130.76 19.95 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.1 t -74.59 139.54 43.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 68.0 m -117.31 41.38 2.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -120.7 94.9 4.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.857 0.36 . . . . 0.0 110.842 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.7 p -69.3 -19.8 63.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.07 100.59 0.79 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.7 m -69.97 -67.65 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.869 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 m -136.94 174.04 11.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.53 42.93 4.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.4 tpt -107.63 140.82 40.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.35 -60.88 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.087 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.8 t0 51.71 42.62 29.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -86.51 39.66 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.558 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.1 OUTLIER 63.89 47.76 0.79 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.576 0.703 . . . . 0.0 110.872 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 53.5 Cg_endo -69.72 111.87 2.92 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.704 2.269 . . . . 0.0 112.33 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.94 162.95 17.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.91 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -153.43 169.36 23.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.91 64.81 1.76 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.3 p -96.71 -9.9 8.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.905 0.383 . . . . 0.0 111.127 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -75.9 153.76 36.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.7 p -121.63 -46.48 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -154.49 166.71 32.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -55.59 125.86 22.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -142.2 176.5 8.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.426 ' O ' ' ND1' ' A' ' 24' ' ' HIS . 1.3 p30 -114.04 97.43 6.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.426 ' ND1' ' O ' ' A' ' 23' ' ' ASP . 50.7 m-70 -149.36 172.19 15.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 26.5 pt -131.38 145.51 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -112.53 120.62 42.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 mt -103.84 130.71 51.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.45 ' O ' ' CG2' ' A' ' 90' ' ' THR . 22.3 mtmt -93.33 112.83 24.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.0 t -93.24 128.35 44.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.143 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.87 147.34 41.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -150.37 164.52 29.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.466 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 33' ' ' ASP . 70.6 mt-30 -56.95 -43.44 81.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 32' ' ' GLN . 12.2 t0 -34.9 -40.69 0.12 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.92 32.31 5.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.536 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.7 t -138.72 122.98 18.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 0.0 110.875 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 82.3 t -87.86 119.05 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.185 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.535 HG11 ' CZ ' ' A' ' 39' ' ' PHE . 8.7 t -111.53 122.0 65.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -98.65 157.2 16.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.598 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 86.8 m-85 -145.6 133.43 21.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.422 ' C ' HG21 ' A' ' 41' ' ' ILE . 51.4 tttt -106.9 114.6 28.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.422 HG21 ' C ' ' A' ' 40' ' ' LYS . 13.4 pt -136.12 179.4 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -95.47 158.38 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.32 -22.76 66.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -112.39 47.4 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.42 ' C ' HG23 ' A' ' 79' ' ' THR . 63.2 m -134.25 134.87 23.16 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.563 0.697 . . . . 0.0 111.164 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 129.81 18.22 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.252 . . . . 0.0 112.358 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 48' ' ' SER . 59.6 mt -53.05 -19.12 2.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 47' ' ' LEU . 81.4 p -35.26 -48.28 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -70.01 -49.2 53.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.598 ' CD1' ' CG ' ' A' ' 39' ' ' PHE . 1.0 OUTLIER -49.61 -52.21 32.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.6 mtt -57.12 -57.2 13.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -47.45 -35.57 8.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.57 -26.77 60.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.47 ' CE2' HG11 ' A' ' 93' ' ' VAL . 62.5 t80 -80.82 -40.23 25.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 12.7 p -73.02 -39.43 66.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 6.0 pt-20 -67.36 -44.34 79.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.438 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 18.6 ttt85 -51.46 -43.4 62.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -95.5 -5.48 42.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.88 20.86 76.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.5 mt -89.11 179.24 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.371 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.9 t -105.32 136.5 44.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.9 ttm -54.3 -42.5 70.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -67.89 -30.6 69.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -69.88 -41.6 74.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.3 pt -98.27 155.56 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 -121.43 147.31 45.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -113.38 146.69 39.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.3 mtm-85 -151.48 162.6 40.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.566 ' CZ ' ' HG2' ' A' ' 85' ' ' MET . 27.8 t80 -149.25 110.59 4.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.9 t70 65.47 26.04 11.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.94 34.56 14.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.46 ' NE2' HD22 ' A' ' 83' ' ' LEU . 3.2 pt20 -139.99 138.48 19.64 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.645 0.736 . . . . 0.0 110.89 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 116.1 4.4 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.712 2.275 . . . . 0.0 112.344 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 10.8 pt -103.98 146.41 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -113.79 172.96 6.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -73.13 -29.64 63.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 36.1 p -81.92 14.78 2.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -111.3 149.15 31.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.42 HG23 ' C ' ' A' ' 45' ' ' THR . 0.8 OUTLIER -110.28 160.61 27.72 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.607 0.718 . . . . 0.0 111.127 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -24.82 29.17 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.66 2.24 . . . . 0.0 112.365 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.53 -24.54 49.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -75.07 -33.66 61.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.46 HD22 ' NE2' ' A' ' 72' ' ' GLN . 4.1 mt -83.56 8.07 15.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 62.39 44.54 7.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.566 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 30.3 mtt -76.53 148.05 37.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -107.17 -74.47 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 89' ' ' ASP . 4.4 p30 -175.56 164.07 3.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 39.7 27.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 87' ' ' ASP . 6.8 m-20 -62.95 -175.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.45 ' CG2' ' O ' ' A' ' 28' ' ' LYS . 70.2 m -139.92 130.33 25.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.417 HG22 ' N ' ' A' ' 92' ' ' ASP . 5.4 mt -99.83 151.41 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.417 ' N ' HG22 ' A' ' 91' ' ' ILE . 5.6 t70 -107.34 123.03 47.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.47 HG11 ' CE2' ' A' ' 54' ' ' TYR . 54.1 t -141.41 154.04 20.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.411 ' N ' ' CG1' ' A' ' 93' ' ' VAL . 9.4 m-85 -126.33 111.47 14.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -81.91 123.07 28.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -97.31 130.36 44.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.3 pm0 -54.82 136.71 46.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.1 t -114.91 125.11 53.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.9 t -59.2 156.91 11.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 72.97 143.08 0.54 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.497 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 117.74 5.26 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.331 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.4 p -106.63 -52.15 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.1 t 48.75 42.06 19.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -82.42 86.98 6.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.837 0.351 . . . . 0.0 110.872 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -65.69 142.71 57.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.66 148.33 19.98 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.446 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.7 m -152.83 172.77 16.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.859 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -147.71 136.0 21.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.51 83.31 0.2 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.0 tpt -93.31 96.67 10.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.329 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -154.51 122.72 6.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -93.08 99.23 11.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -111.66 47.84 1.0 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.464 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 25.9 mmmt 53.38 53.26 11.19 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.578 0.704 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 53.7 Cg_endo -69.77 0.61 5.39 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.652 2.235 . . . . 0.0 112.356 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.58 46.52 1.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -114.49 135.43 54.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 169.89 90.82 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.4 t -123.57 124.05 68.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.942 0.401 . . . . 0.0 111.113 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.78 174.42 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.8 m -132.59 -43.65 0.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 21' ' ' ASN . 14.4 mp0 -64.77 165.65 10.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 20' ' ' GLU . 8.1 m-80 -34.52 142.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -131.15 102.07 5.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -108.04 112.11 24.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.516 ' CE1' ' HG2' ' A' ' 42' ' ' LYS . 47.5 m-70 -124.88 176.16 6.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 47.6 pt -131.99 145.14 35.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -111.2 134.24 52.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.473 HD11 ' CD1' ' A' ' 91' ' ' ILE . 7.3 mt -120.06 129.19 54.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -90.92 109.76 20.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.579 ' CG1' ' CE2' ' A' ' 54' ' ' TYR . 73.7 t -89.98 128.39 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.093 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.34 144.57 30.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.05 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -144.69 -162.12 9.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -81.13 159.14 24.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.34 . . . . 0.0 110.932 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.6 t0 65.84 37.03 5.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.42 52.68 8.63 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.515 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 t -105.94 137.3 44.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.905 0.383 . . . . 0.0 110.833 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.4 t -127.75 110.19 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.164 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.431 HG13 ' CE1' ' A' ' 39' ' ' PHE . 6.0 t -110.57 121.99 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.098 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.401 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 43.3 mt-30 -96.27 165.09 12.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.583 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 81.6 m-85 -152.29 135.15 15.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.41 ' C ' HG22 ' A' ' 41' ' ' ILE . 29.2 tttt -109.97 108.56 18.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.41 HG22 ' C ' ' A' ' 40' ' ' LYS . 8.8 pt -133.08 175.16 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.516 ' HG2' ' CE1' ' A' ' 24' ' ' HIS . 24.9 mttp -93.41 161.27 14.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -64.8 -43.38 93.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.05 37.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.459 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 54.0 m -124.54 131.43 24.16 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.572 0.701 . . . . 0.0 111.142 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 125.46 12.16 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 48' ' ' SER . 86.6 mt -44.8 -22.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 47' ' ' LEU . 7.5 t -34.31 -57.82 0.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -58.1 -42.43 85.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.583 ' CD1' ' CG ' ' A' ' 39' ' ' PHE . 1.9 tp -60.12 -61.52 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.512 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 2.1 mtt -48.49 -58.84 4.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt -45.62 -41.43 10.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.56 -30.46 71.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.579 ' CE2' ' CG1' ' A' ' 29' ' ' VAL . 48.8 t80 -77.52 -39.73 45.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.4 p -74.02 -31.72 63.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 4.1 pt-20 -76.1 -44.73 37.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.446 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 21.4 ttt180 -45.22 -48.56 12.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -89.18 -41.0 12.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.27 25.37 5.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.544 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.5 mt -98.44 169.68 9.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.786 0.327 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.3 p -99.13 135.06 41.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.3 ttm -40.6 -55.98 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -50.44 -52.18 40.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.53 -33.87 15.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.4 pt -106.43 172.99 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.09 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -147.39 129.37 15.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.531 ' CD2' HG22 ' A' ' 93' ' ' VAL . 86.5 m-85 -96.49 148.08 23.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -146.53 162.02 39.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.555 ' CD1' ' HE1' ' A' ' 85' ' ' MET . 66.0 t80 -148.25 106.29 3.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.4 t70 64.69 30.76 12.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.15 38.13 35.6 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -138.66 142.09 33.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.653 0.74 . . . . 0.0 110.85 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 113.76 3.49 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.314 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.5 pt -105.19 150.25 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -123.2 152.62 41.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -54.54 -43.77 72.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 57.4 p -54.58 -44.91 73.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -58.43 150.3 22.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.41 160.34 27.45 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.582 0.706 . . . . 0.0 111.154 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.459 ' CD ' ' O ' ' A' ' 45' ' ' THR . 54.1 Cg_endo -69.74 -20.85 34.4 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.336 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.21 -22.13 42.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.11 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -75.61 -34.17 60.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.6 mt -96.36 18.72 13.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 50.35 42.0 25.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.555 ' HE1' ' CD1' ' A' ' 69' ' ' PHE . 7.0 mtt -67.27 103.16 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.449 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 18.9 pt-20 -82.19 167.92 18.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -64.05 155.34 31.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 62.77 27.51 16.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.46 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . 12.5 m-20 -71.56 -177.52 1.89 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 91.0 m -142.85 123.77 14.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.473 ' CD1' HD11 ' A' ' 27' ' ' LEU . 5.0 mt -98.37 146.34 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.082 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -105.39 120.75 42.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.531 HG22 ' CD2' ' A' ' 67' ' ' PHE . 89.1 t -139.86 157.93 26.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.434 ' N ' ' CG1' ' A' ' 93' ' ' VAL . 65.0 m-85 -129.94 115.23 16.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -91.24 104.56 17.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -72.17 122.54 21.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -88.39 115.09 25.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.0 m -77.46 -52.94 8.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.133 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.5 p -170.38 134.05 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.479 ' N ' ' HD2' ' A' ' 101' ' ' PRO . . . -49.7 -59.03 7.66 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 100' ' ' GLY . 53.8 Cg_endo -69.81 3.8 2.58 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.721 2.281 . . . . 0.0 112.311 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 101' ' ' PRO . 2.8 m -33.56 122.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.9 t -114.3 141.25 47.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.535 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.2 p -123.18 92.25 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 p 45.4 42.76 7.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -42.57 157.86 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.523 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -139.52 176.32 8.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.87 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 p -80.43 171.33 15.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.67 -146.94 9.63 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -172.33 173.18 4.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.782 0.325 . . . . 0.0 110.856 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.32 176.07 8.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -90.9 45.51 1.26 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -79.73 -42.52 24.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.486 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 12.0 mmmt -56.22 -59.97 10.35 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.548 0.69 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 53.7 Cg_endo -69.8 138.81 38.55 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.643 2.229 . . . . 0.0 112.328 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.1 mttt -149.56 157.59 43.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -68.62 177.57 2.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 160.26 -51.72 0.36 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.5 t -73.63 82.61 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.913 0.387 . . . . 0.0 111.156 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -129.07 172.98 10.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.0 p 38.95 50.96 1.82 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -154.26 136.64 14.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -43.25 161.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -117.14 41.86 2.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.82 28.11 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -127.08 155.79 42.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.5 pt -111.53 135.1 51.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -96.2 123.84 39.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.413 ' CD1' HD11 ' A' ' 91' ' ' ILE . 3.3 mt -114.14 128.49 56.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -92.82 108.98 20.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.3 t -91.06 126.0 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.28 140.64 39.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.095 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.32 25.3 4.57 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.498 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 38.56 34.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.79 0.329 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -101.99 -38.45 7.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.816 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.67 -19.71 1.47 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.2 t -126.4 178.76 5.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.904 0.383 . . . . 0.0 110.846 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.7 t -129.68 134.65 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.558 HG11 ' CE1' ' A' ' 39' ' ' PHE . 3.0 t -107.28 121.98 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.5 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 42.5 mt-30 -100.77 162.32 12.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.558 ' CE1' HG11 ' A' ' 37' ' ' VAL . 69.1 m-85 -154.39 128.69 9.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.1 tttp -107.06 107.16 18.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.2 pt -129.68 175.66 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -86.99 155.24 20.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -67.06 -25.11 66.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -96.56 -10.1 28.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.412 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 2.4 m -80.26 132.51 59.21 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.58 0.705 . . . . 0.0 111.177 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 134.9 29.13 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.72 2.28 . . . . 0.0 112.371 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 48' ' ' SER . 38.7 mt -48.63 -20.98 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' LEU . 34.5 t -35.12 -55.99 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.809 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.03 -41.63 98.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.48 ' CD1' ' CG ' ' A' ' 39' ' ' PHE . 1.8 tp -58.39 -54.08 51.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.544 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 3.1 mtt -58.1 -54.64 44.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -46.82 -56.18 6.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.26 -38.94 69.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.144 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -63.07 -29.49 70.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 9.1 m -80.53 -55.3 4.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 13.5 pt-20 -52.67 -45.09 66.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.438 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 10.9 ttt85 -45.95 -45.05 15.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -97.9 0.92 47.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.96 34.45 82.06 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mt -113.25 -175.16 2.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 110.937 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.6 m -112.19 150.08 31.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 54.8 mtp -54.83 -48.47 72.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 33.5 ptt-85 -60.15 -47.17 87.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -48.01 -28.16 2.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.557 HD12 ' CZ ' ' A' ' 67' ' ' PHE . 18.8 pt -118.4 172.82 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -135.71 144.85 46.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.557 ' CZ ' HD12 ' A' ' 65' ' ' ILE . 83.1 m-85 -111.12 141.1 45.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 92' ' ' ASP . 13.4 mmt180 -142.14 156.3 45.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.56 ' CE1' ' HE3' ' A' ' 85' ' ' MET . 59.0 t80 -148.08 116.18 6.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.0 t70 60.33 30.48 19.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.72 32.81 48.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.515 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.418 ' C ' ' HD3' ' A' ' 68' ' ' ARG . 12.6 mm100 -137.9 140.91 30.82 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.599 0.714 . . . . 0.0 110.92 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 112.31 3.04 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.74 2.294 . . . . 0.0 112.302 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 67' ' ' PHE . 7.2 pt -100.14 147.54 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.408 ' C ' ' HE2' ' A' ' 51' ' ' MET . 2.0 m120 -118.58 159.52 23.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -59.87 -42.99 94.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 79.1 p -53.73 -48.99 69.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -55.46 154.92 5.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -111.16 158.97 34.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.569 0.699 . . . . 0.0 111.141 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.412 ' CD ' ' O ' ' A' ' 45' ' ' THR . 53.8 Cg_endo -69.79 -8.95 24.9 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -90.92 -36.11 14.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -59.48 -32.11 69.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 mt -96.89 3.59 52.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 58.47 50.45 9.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.56 ' HE3' ' CE1' ' A' ' 69' ' ' PHE . 11.4 mtp -70.54 105.86 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.418 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 18.9 mt-10 -73.93 171.97 12.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -69.01 156.65 38.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 54.49 28.76 10.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 86' ' ' GLU . 11.2 m-20 -66.91 -177.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 85.3 m -142.92 122.23 13.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.435 HG21 ' N ' ' A' ' 92' ' ' ASP . 2.9 mt -99.31 146.19 9.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 68' ' ' ARG . 21.1 m-20 -105.72 120.68 42.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.532 ' CG1' ' N ' ' A' ' 94' ' ' PHE . 24.8 t -137.32 159.94 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.532 ' N ' ' CG1' ' A' ' 93' ' ' VAL . 0.8 OUTLIER -138.17 109.5 6.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -116.64 143.56 45.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -108.66 130.6 55.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -116.39 166.38 12.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 71.2 p -100.46 169.26 9.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.3 t -104.92 47.8 0.86 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.812 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -118.66 -103.05 2.11 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.477 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 102' ' ' SER . 53.4 Cg_endo -69.77 166.96 25.85 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.709 2.272 . . . . 0.0 112.303 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 101' ' ' PRO . 63.3 p 37.63 46.73 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.1 m -114.61 152.23 32.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.838 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.446 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -146.81 160.76 41.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.84 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.7 p -135.72 175.35 9.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.09 109.28 0.22 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.457 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 p -159.56 122.2 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 110.844 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -174.67 150.14 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.91 58.68 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -130.46 97.32 4.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.24 161.97 17.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.74 105.57 14.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.53 40.48 1.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.509 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 22.1 tttm 65.56 50.63 0.79 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.583 0.706 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 53.6 Cg_endo -69.76 172.46 12.6 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.655 2.237 . . . . 0.0 112.335 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt 40.99 38.71 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -121.02 123.26 41.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 138.06 121.23 1.95 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.4 m -83.22 151.79 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 111.147 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -108.54 89.64 3.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 42.3 p -140.25 117.39 11.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -125.5 90.89 3.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -90.46 -54.94 3.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -104.02 167.95 9.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -82.41 129.14 34.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -109.26 170.35 8.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 34.2 pt -124.06 145.24 31.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.5 m-80 -111.39 130.51 55.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.4 mt -116.9 129.82 56.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -90.95 111.45 22.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.469 HG12 ' CE1' ' A' ' 54' ' ' TYR . 40.8 t -90.32 123.3 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.28 136.5 45.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.65 174.01 29.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -84.31 48.22 1.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -112.78 -38.87 4.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.87 32.77 3.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.486 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.3 t -170.39 123.98 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.92 0.39 . . . . 0.0 110.885 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.7 t -77.33 124.99 36.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.418 ' CG1' ' CE1' ' A' ' 39' ' ' PHE . 31.5 t -106.04 123.03 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.166 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -99.29 160.82 14.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.456 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 87.1 m-85 -148.35 133.04 17.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.413 ' C ' HG22 ' A' ' 41' ' ' ILE . 30.0 ttmt -111.08 111.95 23.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.413 HG22 ' C ' ' A' ' 40' ' ' LYS . 11.5 pt -133.32 177.15 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.5 mttm -90.62 155.45 18.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -64.82 -28.7 69.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -94.51 -5.65 45.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.441 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 15.7 m -83.75 129.65 58.64 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.553 0.692 . . . . 0.0 111.179 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 134.16 27.24 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.673 2.249 . . . . 0.0 112.317 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 50' ' ' LEU . 81.0 mt -47.35 -25.55 1.04 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 47' ' ' LEU . 13.0 p -34.5 -54.73 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -60.81 -40.17 91.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.7 tp -62.27 -56.8 14.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.1 mtt -53.62 -49.54 67.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -52.92 -48.8 67.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.01 -27.44 69.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.469 ' CE1' HG12 ' A' ' 29' ' ' VAL . 61.1 t80 -73.3 -33.44 65.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.937 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 32.6 m -76.87 -43.15 37.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -66.57 -41.97 87.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.8 ttt-85 -46.35 -55.71 6.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -84.16 -53.63 5.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 124.79 33.66 0.74 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.469 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mt -108.91 177.68 4.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.348 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 t -102.73 148.05 26.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 15.2 mmm -52.79 -53.99 40.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -59.91 -42.9 94.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -51.95 -42.82 63.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.511 HD13 ' CE1' ' A' ' 67' ' ' PHE . 7.0 pt -102.96 172.75 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.42 ' NH1' ' HB3' ' A' ' 66' ' ' ARG . 3.6 mmm180 -142.34 148.72 38.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.511 ' CE1' HD13 ' A' ' 65' ' ' ILE . 85.0 m-85 -115.34 149.49 37.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -152.57 149.93 29.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.532 ' CD1' ' HE1' ' A' ' 85' ' ' MET . 87.1 t80 -129.73 114.43 15.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 61.92 27.3 16.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.01 33.14 24.54 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.458 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -137.85 143.44 40.05 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.656 0.741 . . . . 0.0 110.904 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 120.26 7.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.685 2.257 . . . . 0.0 112.304 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.3 pt -107.24 146.55 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.164 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -114.86 136.07 53.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -42.46 -44.23 3.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 75.0 p -52.75 -47.75 67.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.17 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -52.94 159.25 1.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -114.72 159.51 36.95 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.622 0.725 . . . . 0.0 111.129 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.441 ' CD ' ' O ' ' A' ' 45' ' ' THR . 53.7 Cg_endo -69.74 -14.95 36.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.342 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.62 -29.78 25.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -67.93 -33.07 73.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.415 ' O ' ' CG ' ' A' ' 84' ' ' GLU . 16.8 mt -97.08 21.1 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 83' ' ' LEU . 8.3 pt-20 43.02 46.9 4.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.532 ' HE1' ' CD1' ' A' ' 69' ' ' PHE . 8.7 mtt -68.19 102.5 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.457 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 11.4 pt-20 -84.07 161.45 20.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.825 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -58.54 155.37 12.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 62.66 32.42 16.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.457 ' CG ' ' O ' ' A' ' 86' ' ' GLU . 12.7 m-20 -79.69 -176.66 5.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.812 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 96.9 m -143.39 129.57 19.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 8.4 mt -100.89 147.98 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.16 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -107.04 120.9 43.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.815 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 96.6 t -143.05 152.46 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -120.4 110.63 16.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -90.02 101.6 14.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -97.18 159.89 14.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -57.79 133.82 55.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.2 t -82.6 126.6 32.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 72.0 m -121.52 111.25 17.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 165.07 146.29 4.72 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 146.66 60.65 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.65 2.233 . . . . 0.0 112.318 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.9 t -84.76 114.43 22.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.3 t 58.15 53.69 6.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.807 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 m -160.95 148.23 15.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.4 m -51.96 162.66 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.41 -42.31 0.15 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.486 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.3 t -53.06 139.09 29.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.912 0.386 . . . . 0.0 110.847 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.9 t -166.43 144.58 5.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.53 -102.21 0.73 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.526 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.8 tpt 57.87 41.65 24.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -138.46 141.91 39.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.08 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -104.24 85.08 2.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -113.75 -29.25 7.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.512 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 20.6 mtmt -65.49 -58.44 11.89 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.542 0.687 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 54.0 Cg_endo -69.79 0.5 5.58 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.678 2.252 . . . . 0.0 112.351 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -71.51 112.84 7.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.432 ' CD ' ' O ' ' A' ' 13' ' ' PRO . 16.4 mp0 -119.9 166.84 12.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 159.62 78.44 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.457 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.9 m -99.4 156.55 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 0.0 111.162 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -138.93 146.8 41.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.0 p -117.28 114.72 24.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -148.31 168.38 22.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -50.99 168.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -85.12 49.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.98 22.36 13.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.567 ' CE1' ' HG2' ' A' ' 42' ' ' LYS . 8.4 m80 -113.34 164.64 13.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 27.8 pt -130.16 133.6 63.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -96.75 131.09 43.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.9 mt -119.39 129.21 54.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -90.9 112.49 24.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.462 ' CG1' ' CE2' ' A' ' 54' ' ' TYR . 32.7 t -93.79 114.2 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.65 124.93 38.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.074 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.31 44.98 0.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.508 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -152.03 167.19 29.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.832 0.349 . . . . 0.0 110.842 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -83.89 31.39 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 137.54 30.42 0.26 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t -140.74 137.9 33.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 110.861 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 37' ' ' VAL . 96.9 t -124.36 134.35 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.553 HG11 ' CE1' ' A' ' 39' ' ' PHE . 19.6 t -110.75 122.03 64.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -98.93 162.3 13.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.586 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 85.1 m-85 -151.53 124.61 8.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.415 ' C ' HG22 ' A' ' 41' ' ' ILE . 21.5 ttpt -106.4 112.6 25.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.415 HG22 ' C ' ' A' ' 40' ' ' LYS . 8.2 pt -135.08 174.84 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.567 ' HG2' ' CE1' ' A' ' 24' ' ' HIS . 8.1 mtpp -86.35 170.95 11.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -69.94 -33.94 72.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.462 ' C ' ' ND1' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -92.06 -2.75 56.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.3 m -75.79 118.87 74.18 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.548 0.69 . . . . 0.0 111.166 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 48' ' ' SER . 54.0 Cg_endo -69.7 122.5 9.2 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.67 2.247 . . . . 0.0 112.361 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 50' ' ' LEU . 48.7 mt -41.69 -24.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' PRO . 6.7 p -34.98 -56.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -63.88 -37.71 88.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.586 ' CD1' ' CG ' ' A' ' 39' ' ' PHE . 1.5 tp -60.93 -59.9 4.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.553 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 5.9 mtt -49.11 -50.49 36.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -51.53 -52.89 43.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.86 -23.76 63.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.462 ' CE2' ' CG1' ' A' ' 29' ' ' VAL . 47.1 t80 -79.85 -35.07 38.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 59.9 m -76.94 -37.45 55.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 15.6 pt-20 -70.04 -45.32 67.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.43 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 43.7 ttt85 -44.37 -55.39 5.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -81.57 -50.77 8.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.63 35.61 0.9 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.522 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mt -111.08 179.06 4.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.849 0.356 . . . . 0.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.4 t -106.95 143.36 35.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 34.7 mmm -52.31 -36.97 54.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -67.67 -53.14 30.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -49.43 -41.29 39.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.433 HD12 ' CE1' ' A' ' 67' ' ' PHE . 8.3 pt -100.53 171.0 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -149.85 133.29 16.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.553 ' CE1' ' HB3' ' A' ' 51' ' ' MET . 86.9 m-85 -92.21 162.49 14.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.0 mtt-85 -163.48 142.32 8.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.563 ' CD1' ' HE2' ' A' ' 85' ' ' MET . 76.6 t80 -125.92 116.63 21.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 62.15 28.95 17.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.27 36.39 27.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -141.47 144.42 33.69 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.616 0.722 . . . . 0.0 110.936 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 117.91 5.36 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.675 2.25 . . . . 0.0 112.315 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.444 ' CD1' ' HB3' ' A' ' 67' ' ' PHE . 2.7 pt -104.69 148.76 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 76' ' ' GLU . 20.1 m120 -114.8 133.68 55.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 75' ' ' ASN . 6.1 pt-20 -37.72 -42.74 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 52.1 p -54.24 -49.75 68.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.167 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -48.17 155.95 0.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.4 159.67 40.84 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.588 0.708 . . . . 0.0 111.155 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -7.65 21.6 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.664 2.243 . . . . 0.0 112.331 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -92.17 -27.87 17.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -74.97 -37.23 61.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.403 HD11 ' CG2' ' A' ' 74' ' ' ILE . 8.8 mt -91.47 11.11 25.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 53.2 39.84 30.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.563 ' HE2' ' CD1' ' A' ' 69' ' ' PHE . 7.2 mtt -58.28 98.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -62.69 -178.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -79.48 162.15 25.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 87' ' ' ASP . 10.2 pt-20 36.29 38.22 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -72.15 -176.02 1.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 89.0 m -132.82 127.96 35.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 92' ' ' ASP . 3.7 mt -98.37 156.02 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.134 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.467 ' N ' HG23 ' A' ' 91' ' ' ILE . 30.8 m-20 -112.6 121.93 46.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 92.4 t -144.45 150.36 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -112.82 109.43 18.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -93.65 106.72 18.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 97' ' ' GLN . 14.3 mm100 -84.38 158.55 21.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 96' ' ' GLN . 3.3 mp0 -35.53 109.56 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.8 t -50.57 144.24 8.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.7 t -56.78 -59.53 4.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -113.75 146.14 18.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.527 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 125.31 11.99 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.335 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 44.8 t -110.91 110.4 20.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 33.6 m -51.33 -61.81 2.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.895 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.465 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.8 m -74.7 -47.76 29.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 110.852 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.0 t -76.27 136.66 39.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.28 -100.0 0.15 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t 60.35 42.54 14.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.911 0.386 . . . . 0.0 110.878 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.9 p -52.2 153.83 2.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.68 174.49 16.98 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 49.54 41.78 21.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.329 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.66 40.03 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.134 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -121.8 106.51 11.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.4 mp0 -123.13 43.74 2.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.469 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 74.1 mmtt 60.07 52.86 3.51 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.588 0.708 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 53.6 Cg_endo -69.76 103.39 1.15 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.709 2.273 . . . . 0.0 112.325 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.18 159.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -85.4 116.46 23.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -136.97 64.39 0.57 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.9 p -173.59 137.16 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.926 0.393 . . . . 0.0 111.094 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -112.17 113.62 25.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -174.15 110.66 0.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -99.89 147.74 25.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -99.3 -52.17 3.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 64.42 54.32 1.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -128.26 91.37 3.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -129.81 158.73 38.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.811 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.411 ' CG2' ' O ' ' A' ' 86' ' ' GLU . 4.9 pt -123.85 141.48 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -99.83 110.92 23.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.462 ' CD1' HD13 ' A' ' 91' ' ' ILE . 14.7 mt -102.86 128.89 49.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -93.66 109.08 20.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.4 t -89.88 121.04 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.03 114.08 28.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.46 -36.31 2.11 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 -126.83 -174.63 3.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.351 . . . . 0.0 110.938 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -82.9 26.18 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.8 -28.17 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.9 m -79.46 96.55 6.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.921 0.391 . . . . 0.0 110.877 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.1 t -109.81 124.4 66.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.092 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.533 HG12 ' CE1' ' A' ' 39' ' ' PHE . 21.8 t -117.16 122.5 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.404 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 39.7 mt-30 -97.02 162.63 13.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.533 ' CE1' HG12 ' A' ' 37' ' ' VAL . 81.1 m-85 -152.04 135.3 15.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -112.9 110.0 19.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.2 pt -129.11 179.79 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -95.78 164.06 12.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -70.03 -38.13 75.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.816 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -89.57 1.34 56.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.431 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 3.0 m -91.23 130.0 41.48 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.616 0.722 . . . . 0.0 111.122 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 139.06 39.21 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 61.6 mt -55.74 -16.59 4.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 p -37.9 -58.29 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -57.85 -44.72 86.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.509 HD13 ' CD2' ' A' ' 39' ' ' PHE . 1.2 tp -56.07 -63.05 1.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.538 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 5.3 mtt -45.41 -66.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.466 ' HG2' ' CE ' ' A' ' 62' ' ' MET . 15.8 mtmm -40.91 -54.55 2.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.13 -36.64 61.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.504 ' CE2' HG11 ' A' ' 93' ' ' VAL . 82.6 t80 -68.68 -36.14 78.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 59' ' ' GLY . 5.9 m -70.63 -50.67 34.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.67 -41.68 86.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 48.8 ttm-85 -55.42 -43.67 75.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.45 ' HG3' ' NE2' ' A' ' 95' ' ' GLN . 53.9 mm-40 -101.52 5.32 41.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 57.51 32.98 65.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.49 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.7 mt -97.57 -175.45 3.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.789 0.328 . . . . 0.0 110.953 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 t -113.19 135.03 54.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.466 ' CE ' ' HG2' ' A' ' 52' ' ' LYS . 2.2 ttt -50.01 -44.13 51.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -68.39 -49.66 58.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -47.09 -39.12 12.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.7 pt -102.75 167.41 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -144.74 127.26 16.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.538 ' CZ ' ' HA ' ' A' ' 51' ' ' MET . 83.4 m-85 -88.28 157.72 18.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 31.6 mtt85 -160.36 147.61 16.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.831 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.569 ' CD1' ' HE2' ' A' ' 85' ' ' MET . 92.0 t80 -139.2 112.04 7.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.3 t0 72.56 24.99 2.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.842 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.37 35.57 32.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.462 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -138.86 142.03 32.39 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 120.06 6.9 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.683 2.255 . . . . 0.0 112.291 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.458 ' CD1' ' HB3' ' A' ' 67' ' ' PHE . 10.9 pt -108.95 145.97 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -113.94 156.98 23.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -59.57 -32.44 70.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 76.9 p -65.87 -40.19 91.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.148 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -60.44 157.5 13.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.56 160.64 29.73 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.633 0.73 . . . . 0.0 111.081 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.431 ' CD ' ' O ' ' A' ' 45' ' ' THR . 53.8 Cg_endo -69.82 -24.93 28.83 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.646 2.23 . . . . 0.0 112.354 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.29 -22.15 55.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.056 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -75.92 -34.32 59.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.7 mt -86.2 11.02 12.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 61.01 41.03 14.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.569 ' HE2' ' CD1' ' A' ' 69' ' ' PHE . 8.2 mtt -76.26 116.92 17.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.411 ' O ' ' CG2' ' A' ' 25' ' ' ILE . 21.9 mt-10 -87.34 -74.23 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -175.72 165.73 3.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 42.83 29.63 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.452 ' C ' ' OD1' ' A' ' 89' ' ' ASP . 0.3 OUTLIER -70.09 -174.6 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 44.2 m -128.46 124.35 35.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.462 HD13 ' CD1' ' A' ' 27' ' ' LEU . 11.8 mt -98.11 144.2 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.422 ' N ' HG23 ' A' ' 91' ' ' ILE . 2.3 m-20 -105.71 123.65 48.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.504 HG11 ' CE2' ' A' ' 54' ' ' TYR . 97.0 t -145.37 143.87 21.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -105.23 111.3 24.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.45 ' NE2' ' HG3' ' A' ' 58' ' ' GLN . 15.6 mt-30 -94.74 99.16 11.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -104.97 114.21 28.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -92.53 127.18 37.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 37.4 m -121.3 145.11 48.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.3 t -118.09 109.83 16.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -69.19 146.02 43.73 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.472 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 142.11 46.92 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.692 2.261 . . . . 0.0 112.279 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.5 m -99.11 41.41 1.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.4 t 71.93 42.18 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 p -153.48 161.24 42.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.799 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.2 p -128.58 168.35 15.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.82 -86.99 1.98 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.537 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.4 m 50.91 43.15 28.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.844 0.354 . . . . 0.0 110.807 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 m -104.62 135.63 45.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.53 108.52 0.22 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.13 150.92 39.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.75 0.309 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -162.83 139.04 7.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.84 93.36 3.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -88.31 57.43 4.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.478 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 62.8 mttt 50.75 52.17 11.84 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.589 0.709 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 53.7 Cg_endo -69.78 1.18 4.68 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.637 2.225 . . . . 0.0 112.34 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -57.02 158.23 5.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -159.01 176.69 11.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 147.35 129.37 1.93 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.424 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.2 m -84.09 157.14 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.895 0.379 . . . . 0.0 111.126 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.03 125.98 16.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.1 p -111.65 93.18 4.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -160.84 144.65 13.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -63.14 88.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -49.88 145.71 5.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -117.11 -40.83 3.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.42 ' NE2' ' HG2' ' A' ' 42' ' ' LYS . 16.6 m80 -54.92 178.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.46 ' CD1' ' HB2' ' A' ' 80' ' ' PRO . 21.5 pt -134.41 144.4 35.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -110.79 114.31 27.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.461 ' CD1' HD12 ' A' ' 91' ' ' ILE . 2.6 mt -106.22 129.4 54.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -92.62 107.18 19.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.523 ' CG1' ' CE2' ' A' ' 54' ' ' TYR . 24.4 t -90.6 117.24 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.16 144.76 25.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.165 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -138.8 -38.65 0.11 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.459 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 34' ' ' GLY . 27.1 tt0 -120.27 168.36 11.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.357 . . . . 0.0 110.936 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -41.18 -27.15 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 32' ' ' GLN . . . -137.67 -33.91 0.2 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.1 t -40.5 125.15 2.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.914 0.388 . . . . 0.0 110.867 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 37.6 t -136.59 125.14 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.435 HG12 ' CD ' ' A' ' 57' ' ' ARG . 11.7 t -121.39 122.01 66.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.157 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.427 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 37.2 mt-30 -95.44 162.65 13.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.569 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 70.5 m-85 -152.32 130.02 11.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.7 tttp -103.14 117.06 33.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.4 pt -139.87 -178.76 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.152 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.42 ' HG2' ' NE2' ' A' ' 24' ' ' HIS . 33.9 mtpt -99.69 169.6 9.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.9 ptt85 -73.87 -40.44 63.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -94.06 36.14 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.811 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.459 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 4.6 m -122.08 133.16 24.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.612 0.72 . . . . 0.0 111.113 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 125.09 11.74 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.725 2.283 . . . . 0.0 112.33 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.463 ' O ' ' C ' ' A' ' 48' ' ' SER . 42.9 mt -48.86 -18.87 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 47' ' ' LEU . 55.5 p -33.57 -57.51 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -60.11 -51.45 69.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.569 ' CD1' ' CG ' ' A' ' 39' ' ' PHE . 0.8 OUTLIER -49.2 -53.92 19.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.567 ' HG2' ' CE1' ' A' ' 67' ' ' PHE . 16.0 mtt -49.53 -53.48 23.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.4 mtmm -51.74 -53.24 41.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.64 -23.85 4.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.523 ' CE2' ' CG1' ' A' ' 29' ' ' VAL . 48.4 t80 -83.17 -30.33 27.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 11.4 p -81.05 -35.46 31.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 5.9 pt-20 -70.64 -43.4 69.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.435 ' CD ' HG12 ' A' ' 37' ' ' VAL . 59.2 ttt-85 -47.67 -53.19 15.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.425 ' NE2' HH11 ' A' ' 57' ' ' ARG . 72.9 mm-40 -86.3 -32.03 21.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.61 31.25 6.82 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.518 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mt -103.6 178.23 4.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.9 m -97.77 150.88 20.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 39.8 mtp -64.52 -56.12 16.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -15.16 10.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -80.47 -43.28 21.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 48.7 pt -100.73 153.7 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.417 ' NH2' ' HB3' ' A' ' 73' ' ' PRO . 5.7 tpt180 -118.31 147.37 43.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.567 ' CE1' ' HG2' ' A' ' 51' ' ' MET . 97.1 m-85 -109.13 141.72 40.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -144.28 155.56 43.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.563 ' CE1' ' HE3' ' A' ' 85' ' ' MET . 76.8 t80 -150.7 137.69 19.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 42.87 28.57 0.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 73.28 36.89 55.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -138.97 145.09 43.94 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.417 ' HB3' ' NH2' ' A' ' 66' ' ' ARG . 53.9 Cg_endo -69.69 112.47 3.07 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.703 2.269 . . . . 0.0 112.363 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 10.0 pt -102.72 142.98 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -114.29 157.77 22.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -60.6 -41.09 94.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 23.9 p -63.13 -29.92 71.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.77 166.45 10.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 p -123.72 159.12 57.22 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.579 0.704 . . . . 0.0 111.148 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.46 ' HB2' ' CD1' ' A' ' 25' ' ' ILE . 54.2 Cg_endo -69.71 -17.26 37.9 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.735 2.29 . . . . 0.0 112.384 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.26 -24.01 32.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.097 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -76.47 -30.1 57.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.977 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.8 mt -86.59 4.22 41.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 65.26 49.32 1.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.563 ' HE3' ' CE1' ' A' ' 69' ' ' PHE . 24.8 mtt -84.42 143.17 29.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.44 ' O ' ' CG2' ' A' ' 25' ' ' ILE . 20.4 mm-40 -109.07 -75.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 89' ' ' ASP . 0.7 OUTLIER -172.58 170.32 4.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 39.61 25.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 87' ' ' ASP . 42.3 m-20 -63.7 -174.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 73.0 m -142.26 122.95 14.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.461 HD12 ' CD1' ' A' ' 27' ' ' LEU . 3.9 mt -98.72 150.77 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.401 ' N ' HG23 ' A' ' 91' ' ' ILE . 3.8 t0 -109.63 120.69 43.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 75.0 t -134.11 147.9 30.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -109.22 109.24 20.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -86.94 119.15 26.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -94.79 146.64 24.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 52.86 42.12 31.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 72.3 m -43.04 134.37 3.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.3 t -70.79 -54.87 10.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 121.25 67.48 0.26 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 149.86 67.61 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.661 2.241 . . . . 0.0 112.37 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 84.3 p -53.07 140.13 26.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.6 t -93.32 156.03 17.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.474 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -138.8 111.69 7.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.82 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.1 p -154.73 145.35 22.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.1 175.49 21.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.1 p -161.68 111.06 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.358 . . . . 0.0 110.887 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.3 m -146.69 164.14 33.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.62 145.51 17.52 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.2 mmm -106.71 155.39 19.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.794 0.331 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.28 149.74 24.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -78.75 102.2 7.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.437 ' O ' ' CD ' ' A' ' 11' ' ' GLU . 9.4 tm-20 -84.14 46.14 1.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.475 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 1.4 mptm? 52.23 52.58 11.42 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.541 0.686 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 54.4 Cg_endo -69.72 172.48 12.52 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.679 2.253 . . . . 0.0 112.377 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt 50.67 40.84 25.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -49.99 -48.0 52.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -175.98 135.38 2.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.1 m -92.86 -41.8 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.928 0.394 . . . . 0.0 111.089 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 mptt 43.22 44.5 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.7 p -65.18 105.44 1.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.194 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -126.53 148.11 49.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.423 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 41.9 p-10 -105.21 94.41 5.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.423 ' CG ' ' O ' ' A' ' 21' ' ' ASN . 70.1 m-80 -162.25 175.55 11.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -87.77 111.79 21.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.451 ' CE1' ' HG2' ' A' ' 42' ' ' LYS . 33.5 m-70 -143.81 175.61 9.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.2 pt -140.9 137.62 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.168 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -103.6 111.66 24.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.49 ' CD2' ' OD1' ' A' ' 89' ' ' ASP . 6.2 mt -105.0 129.66 53.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -91.42 110.74 22.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.9 t -91.45 129.09 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.0 115.45 30.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.77 -151.83 9.26 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -100.65 -41.05 7.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.782 0.325 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -83.63 43.07 0.88 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.63 38.84 36.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.508 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.6 m -102.19 120.63 40.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.835 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.403 HG11 ' NE2' ' A' ' 38' ' ' GLN . 95.1 t -106.57 113.29 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.449 HG11 ' CE1' ' A' ' 39' ' ' PHE . 20.2 t -118.33 124.57 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.403 ' NE2' HG11 ' A' ' 36' ' ' VAL . 16.9 mp0 -96.37 163.09 13.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.648 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 91.1 m-85 -152.85 133.73 13.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.41 ' C ' HG21 ' A' ' 41' ' ' ILE . 1.0 OUTLIER -109.82 113.55 26.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.879 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.41 HG21 ' C ' ' A' ' 40' ' ' LYS . 18.4 pt -134.72 -178.57 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.131 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.451 ' HG2' ' CE1' ' A' ' 24' ' ' HIS . 55.1 mttt -99.65 155.13 17.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.32 -27.96 69.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.441 ' CG ' ' O ' ' A' ' 44' ' ' HIS . 6.0 p80 -105.62 40.71 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.831 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.1 m -129.1 133.5 25.26 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.633 0.73 . . . . 0.0 111.087 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 48' ' ' SER . 53.7 Cg_endo -69.75 121.75 8.44 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 48' ' ' SER . 76.1 mt -42.95 -23.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 47' ' ' LEU . 7.4 t -34.0 -53.31 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -44.35 96.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.648 ' CD1' ' CG ' ' A' ' 39' ' ' PHE . 1.5 tp -58.15 -57.21 13.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.543 ' HG2' ' CE1' ' A' ' 67' ' ' PHE . 4.4 mtt -49.47 -66.81 0.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 51' ' ' MET . 24.5 mtpt -34.91 -55.95 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.28 -40.73 64.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.487 ' N ' ' O ' ' A' ' 51' ' ' MET . 53.6 t80 -58.18 -31.68 67.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 59' ' ' GLY . 74.6 m -76.25 -56.55 4.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.435 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 8.2 pt-20 -55.32 -44.37 75.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.435 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 33.5 ttm-85 -44.84 -49.56 10.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 70.6 mm-40 -98.63 -8.03 27.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 76.9 26.66 61.98 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.507 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.5 mt -96.18 -177.15 3.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.794 0.33 . . . . 0.0 110.937 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 t -102.13 175.09 5.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.4 ttt -93.93 -50.72 5.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.92 -6.95 9.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -92.16 -35.25 13.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.474 HD11 ' CE1' ' A' ' 67' ' ' PHE . 6.8 pt -105.69 165.2 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -140.11 145.29 37.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.543 ' CE1' ' HG2' ' A' ' 51' ' ' MET . 87.8 m-85 -106.14 157.66 17.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -163.07 147.81 11.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.55 ' CD2' ' HE1' ' A' ' 85' ' ' MET . 28.5 t80 -135.96 112.71 10.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.4 t70 70.58 25.15 4.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.8 34.29 28.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.524 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -135.88 138.23 27.33 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.579 0.704 . . . . 0.0 110.895 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 116.78 4.72 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.698 2.266 . . . . 0.0 112.294 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.405 ' CD1' ' HB3' ' A' ' 67' ' ' PHE . 10.0 pt -106.09 146.45 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -110.77 161.16 16.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -64.65 -39.23 93.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 75.5 p -64.68 -18.45 64.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.166 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.7 163.92 25.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.52 160.77 42.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.579 0.704 . . . . 0.0 111.122 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -20.4 35.05 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.37 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.45 -27.04 46.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -74.12 -30.16 62.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.3 mt -87.61 10.66 17.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 60.58 48.43 7.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.55 ' HE1' ' CD2' ' A' ' 69' ' ' PHE . 8.9 mtt -91.26 138.6 31.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.557 ' CD ' ' N ' ' A' ' 86' ' ' GLU . 1.7 pm0 -119.27 -58.17 1.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -176.16 170.38 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 43.45 25.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.492 ' HB3' ' CZ ' ' A' ' 69' ' ' PHE . 0.1 OUTLIER -73.17 125.13 27.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.8 m -85.26 128.39 34.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.468 HD12 ' CD1' ' A' ' 27' ' ' LEU . 5.4 mt -100.57 145.38 11.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -107.53 121.2 44.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 99.5 t -139.64 147.08 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -111.35 109.89 20.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -85.89 106.85 17.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -98.36 156.68 16.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -123.61 151.96 42.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.8 p -70.06 145.04 51.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.8 t -72.14 125.49 27.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 149.37 85.48 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 133.44 25.51 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.701 2.267 . . . . 0.0 112.337 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.2 t -118.36 167.08 11.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.1 m -121.12 -59.0 1.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m 49.48 45.38 24.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 110.844 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.8 p -77.76 172.15 13.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.87 116.73 1.1 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.447 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.2 p -153.03 151.75 30.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 110.871 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.2 p -147.85 150.86 34.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.53 118.8 2.06 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.14 167.44 4.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.322 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 40.66 32.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.087 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -120.53 -7.74 9.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -88.8 -32.72 17.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.477 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 2.7 mptm? -58.8 -59.97 11.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.53 0.681 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 53.7 Cg_endo -69.77 115.84 4.28 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.69 2.26 . . . . 0.0 112.307 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -106.75 148.52 28.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.31 154.18 41.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.5 176.63 53.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.6 m -84.8 164.33 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.918 0.39 . . . . 0.0 111.114 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -100.75 93.09 5.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.7 m -135.13 136.96 42.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -53.72 155.57 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -85.29 59.97 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -68.79 -37.4 79.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -113.82 -62.28 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.561 ' CE1' ' HG2' ' A' ' 42' ' ' LYS . 63.6 m-70 -55.28 160.17 2.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.6 pt -133.34 132.04 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.489 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -88.21 126.21 35.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.401 HD13 ' CD1' ' A' ' 91' ' ' ILE . 10.5 mt -116.19 121.72 42.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -91.0 107.28 19.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.41 HG13 ' CG2' ' A' ' 93' ' ' VAL . 21.4 t -89.97 116.22 30.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.14 154.0 18.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.39 178.72 17.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -73.89 -28.84 61.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.822 0.344 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 34' ' ' GLY . 24.6 t70 -90.78 47.75 1.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 33' ' ' ASP . . . 34.94 55.74 0.84 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.481 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 m -117.82 138.67 51.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.851 0.358 . . . . 0.0 110.857 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 49.1 t -126.27 127.8 71.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.161 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.48 HG12 ' CZ ' ' A' ' 39' ' ' PHE . 10.3 t -136.81 125.9 36.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -96.77 158.03 15.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.605 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 91.5 m-85 -149.45 122.14 8.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.422 ' C ' HG22 ' A' ' 41' ' ' ILE . 5.2 ttpm? -101.51 115.71 31.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.422 HG22 ' C ' ' A' ' 40' ' ' LYS . 14.1 pt -140.4 179.48 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.561 ' HG2' ' CE1' ' A' ' 24' ' ' HIS . 49.4 mttt -89.74 158.02 17.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.409 ' O ' ' CB ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -70.74 -21.39 62.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -108.82 36.83 2.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.414 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 43.8 m -125.13 135.02 26.28 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.595 0.712 . . . . 0.0 111.126 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 126.23 13.09 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.25 . . . . 0.0 112.369 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 50' ' ' LEU . 32.7 mt -49.76 -20.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 47' ' ' LEU . 21.7 t -34.5 -45.98 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.93 -43.55 62.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.886 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.605 ' CD1' ' CG ' ' A' ' 39' ' ' PHE . 1.4 tp -56.1 -53.44 57.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.478 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 3.0 mtt -59.9 -58.98 6.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.407 ' N ' ' HE1' ' A' ' 62' ' ' MET . 20.5 mttt -39.61 -48.42 2.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.83 84.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.565 ' CE2' HG11 ' A' ' 93' ' ' VAL . 62.0 t80 -60.95 -32.11 71.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' GLY . 99.7 m -73.06 -54.05 9.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 4.4 pt-20 -57.23 -43.56 82.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.43 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 39.5 ttt180 -48.49 -44.08 35.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -104.87 2.1 29.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 59.83 37.5 92.6 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.531 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.3 mt -101.14 -176.31 3.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.5 m -108.47 132.28 53.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.445 ' CE ' ' HB2' ' A' ' 51' ' ' MET . 0.3 OUTLIER -49.56 -37.16 26.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.414 ' O ' ' NH1' ' A' ' 63' ' ' ARG . 13.5 tpt85 -75.63 -44.99 39.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -54.34 -30.39 51.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.9 pt -115.18 168.81 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 -143.75 162.74 35.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.478 ' CE1' ' HB3' ' A' ' 51' ' ' MET . 63.0 m-85 -120.64 155.67 33.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.5 mtt180 -153.66 150.12 28.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.652 ' CD1' ' CE ' ' A' ' 85' ' ' MET . 76.5 t80 -137.69 110.44 7.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.1 t0 69.06 28.03 5.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.22 29.16 41.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.49 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -139.55 143.58 36.1 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.558 0.694 . . . . 0.0 110.926 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 122.39 9.07 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.718 2.279 . . . . 0.0 112.358 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.7 pt -101.54 144.16 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -106.35 131.54 53.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -39.97 -40.94 1.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 41.3 p -59.08 -44.72 91.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.117 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -56.0 148.03 18.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.842 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.71 160.64 25.4 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.601 0.715 . . . . 0.0 111.124 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.414 ' CD ' ' O ' ' A' ' 45' ' ' THR . 53.4 Cg_endo -69.75 -12.7 33.45 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.702 2.268 . . . . 0.0 112.339 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 43' ' ' ARG . . . -87.51 -27.65 22.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -71.44 -34.42 70.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.6 mt -92.65 9.24 35.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 55.57 48.62 18.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.652 ' CE ' ' CD1' ' A' ' 69' ' ' PHE . 7.8 mtt -69.89 120.65 15.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -84.94 177.3 8.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -75.5 149.35 38.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 55.51 25.54 7.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -58.97 -175.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 44.9 m -138.12 122.28 18.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.413 HG21 ' N ' ' A' ' 92' ' ' ASP . 3.4 mt -98.23 147.54 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.413 ' N ' HG21 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -105.56 121.14 43.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.891 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.565 HG11 ' CE2' ' A' ' 54' ' ' TYR . 43.2 t -136.7 156.37 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.447 ' N ' ' CG1' ' A' ' 93' ' ' VAL . 17.1 m-85 -116.62 109.77 17.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -95.1 108.22 20.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -74.8 148.12 40.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -111.19 52.18 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.6 m -94.9 93.83 7.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 51.9 p -175.02 144.95 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -153.57 -96.59 0.13 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -16.91 37.72 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.623 2.215 . . . . 0.0 112.351 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 96.8 p -45.08 131.46 7.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.816 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.7 t -142.02 114.25 8.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.51 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.6 m -128.47 155.15 45.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.914 0.388 . . . . 0.0 110.824 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 t -106.43 100.33 9.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.56 165.3 15.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 t 58.13 44.1 19.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.372 . . . . 0.0 110.882 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.3 p -44.05 -50.76 8.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.802 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.89 -152.01 17.2 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.5 tpp -130.33 147.41 52.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -45.07 -49.04 11.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.067 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -109.8 105.14 14.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -128.9 43.7 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.443 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 42.4 tttt 62.08 54.46 2.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.586 0.708 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.443 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 53.1 Cg_endo -69.81 106.82 1.74 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.263 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.408 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -45.33 156.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -47.16 113.71 0.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.47 153.63 9.86 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 63.7 t -124.09 129.17 74.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.921 0.391 . . . . 0.0 111.119 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -76.96 102.2 6.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.4 p -135.54 141.14 45.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 21' ' ' ASN . 25.3 tt0 -43.31 -44.57 5.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 20' ' ' GLU . 4.8 t-20 -34.56 -52.01 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -38.0 145.71 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -165.59 124.33 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.404 ' NE2' ' HG2' ' A' ' 42' ' ' LYS . 9.5 m80 -128.84 158.41 38.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 36.2 pt -118.92 131.61 71.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -88.09 129.91 35.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 mt -124.83 126.45 45.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -90.9 113.72 25.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 65.2 t -92.11 116.19 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.55 130.44 44.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -140.6 -58.78 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.51 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -84.52 175.13 9.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -78.58 40.11 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 158.27 -15.34 0.27 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 t -81.73 124.07 29.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.95 0.405 . . . . 0.0 110.884 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.8 t -128.45 116.37 41.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.508 HG13 ' CZ ' ' A' ' 39' ' ' PHE . 11.9 t -106.52 121.95 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -95.41 159.25 15.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.551 ' CD2' HD11 ' A' ' 50' ' ' LEU . 90.5 m-85 -149.51 126.78 11.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -108.7 107.17 17.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.5 pt -127.69 -179.69 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.404 ' HG2' ' NE2' ' A' ' 24' ' ' HIS . 82.7 mttt -91.52 167.8 11.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -75.44 -39.68 58.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -87.96 9.69 21.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.473 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 2.4 m -99.79 130.75 25.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.542 0.686 . . . . 0.0 111.184 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 140.77 43.62 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 50' ' ' LEU . 50.9 mt -56.65 -21.01 24.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 47' ' ' LEU . 91.4 p -35.67 -50.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -65.29 -40.92 94.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.551 HD11 ' CD2' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -61.37 -57.39 12.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.428 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 2.7 mtt -53.38 -47.46 69.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -56.41 -51.07 69.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.69 -18.83 61.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.092 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -84.93 -33.04 22.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 45.3 m -77.57 -36.85 51.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.42 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 7.1 pt-20 -72.18 -44.01 63.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.42 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 49.5 ttt180 -48.1 -62.05 1.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -75.64 -49.4 18.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.52 37.19 1.21 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.522 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 mt -109.49 -179.54 3.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.822 0.344 . . . . 0.0 110.921 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.5 m -105.79 142.86 34.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.6 mtt -52.15 -48.76 64.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -63.17 -44.35 95.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -53.53 -37.27 62.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.1 pt -105.9 166.85 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -141.46 137.79 32.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.428 ' CE1' ' HB3' ' A' ' 51' ' ' MET . 96.8 m-85 -101.38 158.68 15.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -160.04 153.14 21.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.554 ' CD1' ' HE3' ' A' ' 85' ' ' MET . 77.0 t80 -140.13 112.35 7.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.9 t0 68.55 24.98 6.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.11 33.92 22.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -140.97 143.33 31.1 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.611 0.72 . . . . 0.0 110.9 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 116.39 4.54 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.361 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.1 pt -101.43 150.48 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -116.02 154.21 30.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -60.19 -34.13 73.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 77.3 p -64.28 -33.95 76.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.186 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -66.82 156.99 34.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.04 158.85 35.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.534 0.683 . . . . 0.0 111.158 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.473 ' CD ' ' O ' ' A' ' 45' ' ' THR . 53.5 Cg_endo -69.82 -15.22 36.77 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.86 -22.37 27.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.072 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -72.92 -35.36 67.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.5 mt -96.65 17.63 16.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 48.1 48.45 18.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.554 ' HE3' ' CD1' ' A' ' 69' ' ' PHE . 7.5 mtt -66.61 98.56 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -62.51 172.17 1.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -75.68 143.51 42.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 62.99 26.81 15.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -66.94 -174.91 0.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 93.2 m -138.87 128.38 24.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 11.1 mt -98.3 156.63 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -112.41 125.51 54.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.433 ' CG1' ' N ' ' A' ' 94' ' ' PHE . 89.6 t -145.42 159.29 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.433 ' N ' ' CG1' ' A' ' 93' ' ' VAL . 5.7 m-85 -121.7 114.47 21.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -91.8 106.55 18.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -87.88 130.99 34.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -98.29 105.0 17.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 61.0 p -62.78 -53.56 52.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 61.1 m -143.53 166.4 24.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -53.68 -94.73 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 97.86 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.7 2.267 . . . . 0.0 112.326 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.5 p -88.32 41.24 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 51.6 m -91.8 138.54 31.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.444 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -126.04 116.92 22.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.868 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 m -155.13 164.74 38.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.51 -165.87 25.72 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.5 p -160.97 151.17 17.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.836 0.35 . . . . 0.0 110.87 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.6 t -164.79 150.54 10.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.63 69.99 0.44 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.4 mtt -138.52 135.97 35.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.76 0.314 . . . . 0.0 110.929 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.21 39.45 2.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -76.39 86.06 3.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 12' ' ' LYS . 44.4 mt-10 -101.22 41.99 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.457 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER 35.34 53.31 1.78 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.55 0.691 . . . . 0.0 110.921 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 54.1 Cg_endo -69.73 84.12 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.692 2.262 . . . . 0.0 112.376 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -146.05 129.24 16.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -132.53 171.75 13.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 143.47 54.96 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.482 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.4 p -92.79 130.51 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.948 0.404 . . . . 0.0 111.158 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.73 -52.46 4.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.1 m -44.73 133.73 5.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -80.14 153.49 28.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -109.13 124.86 51.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -101.27 -47.94 4.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.512 ' O ' ' CG ' ' A' ' 24' ' ' HIS . 28.2 t0 -161.96 126.94 3.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 23' ' ' ASP . 8.3 m-70 -161.93 169.23 21.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.461 ' CD1' ' HB2' ' A' ' 80' ' ' PRO . 5.9 pt -124.91 152.97 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -117.2 108.88 16.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.455 ' CD1' HD13 ' A' ' 91' ' ' ILE . 2.9 mt -103.16 128.04 50.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -91.71 112.95 25.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.3 t -90.46 129.03 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.112 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.95 146.13 37.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -148.59 -177.62 23.0 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 33' ' ' ASP . 1.4 mp0 -71.83 -51.79 20.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 0.0 110.926 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 32' ' ' GLN . 10.8 m-20 -37.03 -40.89 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.65 30.79 6.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.528 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.5 m -126.32 95.42 4.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.386 . . . . 0.0 110.874 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.7 t -59.91 125.28 15.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.446 HG11 ' CE1' ' A' ' 39' ' ' PHE . 21.7 t -113.42 122.66 67.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.114 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -98.36 163.04 12.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.571 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 96.5 m-85 -153.2 138.14 17.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -113.35 106.83 15.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.5 pt -129.81 178.74 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -94.5 166.89 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.9 mtm180 -71.0 -40.77 71.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -86.28 -4.9 59.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.443 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 3.4 m -83.87 127.94 65.21 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.704 . . . . 0.0 111.155 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 140.17 41.91 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 48' ' ' SER . 59.0 mt -58.09 -15.1 8.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 47' ' ' LEU . 68.6 p -35.75 -59.24 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -58.82 -47.26 85.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.571 ' CD1' ' CG ' ' A' ' 39' ' ' PHE . 1.2 tp -51.08 -57.26 9.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.458 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 2.7 mtt -52.31 -48.92 65.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -56.0 -53.3 58.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.7 -23.65 59.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.08 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -81.28 -38.81 26.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.4 ' SG ' ' N ' ' A' ' 56' ' ' GLU . 3.0 p -76.21 -40.16 52.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.4 ' N ' ' SG ' ' A' ' 55' ' ' CYS . 4.9 pt-20 -70.69 -41.65 71.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -50.28 -53.97 24.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -80.59 -47.52 14.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.35 27.09 2.73 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.0 mt -100.89 -179.77 4.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.0 m -108.91 155.05 21.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.3 mtt -74.03 -28.29 61.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -80.73 -3.41 50.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -103.25 -37.14 7.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 27.0 pt -100.22 173.12 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 -147.62 136.05 21.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.458 ' CZ ' ' HA ' ' A' ' 51' ' ' MET . 92.5 m-85 -99.59 152.43 20.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -159.75 147.63 17.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.553 ' CZ ' ' HE2' ' A' ' 85' ' ' MET . 29.9 t80 -137.21 116.12 12.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.9 t70 64.24 28.98 13.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.846 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.49 37.6 46.48 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.519 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -136.27 139.91 31.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.602 0.715 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 114.97 3.88 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.746 2.297 . . . . 0.0 112.31 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.3 pt -106.66 153.54 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -127.64 155.06 44.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -54.97 -33.04 62.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 61.1 p -68.38 -33.05 73.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -63.66 172.57 2.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.5 p -128.27 158.84 70.05 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.551 0.691 . . . . 0.0 111.134 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.461 ' HB2' ' CD1' ' A' ' 25' ' ' ILE . 54.3 Cg_endo -69.72 -28.5 25.35 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.675 2.25 . . . . 0.0 112.353 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.69 -20.93 59.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.057 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -77.13 -33.47 56.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.8 mt -85.07 9.59 14.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 65.91 44.33 2.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.553 ' HE2' ' CZ ' ' A' ' 69' ' ' PHE . 16.3 mtt -86.66 137.53 32.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.542 ' CD ' ' N ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -116.49 -62.89 1.52 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 89' ' ' ASP . 30.7 t70 -175.47 170.69 2.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 39.32 25.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 87' ' ' ASP . 24.0 m-20 -62.06 -175.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.7 m -138.68 126.56 22.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.455 HD13 ' CD1' ' A' ' 27' ' ' LEU . 6.0 mt -106.06 146.37 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -107.92 121.01 43.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.47 HG12 ' N ' ' A' ' 94' ' ' PHE . 61.9 t -140.85 141.55 31.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.47 ' N ' HG12 ' A' ' 93' ' ' VAL . 8.3 m-85 -106.66 109.77 21.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -88.91 113.42 24.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -97.25 146.04 25.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -120.44 -44.52 2.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 99' ' ' SER . 6.3 m 48.76 46.84 21.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 98' ' ' THR . 95.5 p 36.97 38.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -68.49 -158.19 1.28 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.532 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 170.53 16.3 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.689 2.259 . . . . 0.0 112.338 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.9 t -96.96 121.5 38.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 37.9 t -83.9 -42.55 16.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 -179.956 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -160.61 161.24 32.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.907 0.384 . . . . 0.0 110.822 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.9 m -153.61 147.08 24.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.58 -155.53 14.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.532 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 t -139.2 171.43 14.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.825 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 m -48.97 173.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.95 55.41 0.21 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.456 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.7 mtt -126.39 149.62 49.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.819 0.342 . . . . 0.0 110.831 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.71 166.16 16.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.67 -36.5 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -71.02 -31.78 68.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.485 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -42.32 -60.25 2.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.569 0.7 . . . . 0.0 110.883 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 53.7 Cg_endo -69.71 112.94 3.21 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.637 2.224 . . . . 0.0 112.381 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -174.79 141.26 0.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -163.21 151.81 14.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -174.74 67.5 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.4 t -99.44 131.02 47.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 111.116 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.41 ' C ' ' HD2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -162.33 172.37 15.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.4 t -136.47 157.74 46.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -146.61 163.28 36.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -101.25 101.95 12.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.501 ' HB3' ' CD2' ' A' ' 24' ' ' HIS . 16.1 t-20 -171.03 164.54 7.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.45 ' C ' ' CD2' ' A' ' 24' ' ' HIS . 3.5 m-20 -79.5 102.64 8.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.558 ' CE1' ' HG2' ' A' ' 42' ' ' LYS . 22.0 m-70 -145.28 168.45 20.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.446 ' CD1' ' HB2' ' A' ' 80' ' ' PRO . 23.6 pt -128.68 136.53 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -100.08 117.97 35.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.468 ' CD1' HD13 ' A' ' 91' ' ' ILE . 2.7 mt -110.48 124.52 51.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -91.04 110.82 22.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.5 t -90.17 134.76 28.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.58 122.08 43.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -158.86 -53.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.411 ' CD ' ' HB3' ' A' ' 35' ' ' SER . 12.0 mt-30 -45.08 170.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.797 0.332 . . . . 0.0 110.932 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -86.28 26.82 0.99 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 145.79 33.6 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.411 ' HB3' ' CD ' ' A' ' 32' ' ' GLN . 8.8 t -146.46 133.64 20.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.936 0.398 . . . . 0.0 110.866 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 77.0 t -106.11 131.55 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.7 t -109.2 122.11 63.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -101.04 156.91 17.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.598 ' CG ' ' CD1' ' A' ' 50' ' ' LEU . 92.1 m-85 -146.98 131.46 17.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -108.37 108.16 19.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.3 pt -130.15 -179.13 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.558 ' HG2' ' CE1' ' A' ' 24' ' ' HIS . 26.9 mttm -96.0 171.1 8.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -75.53 -40.39 57.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -85.66 -2.27 58.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.476 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 17.5 m -85.31 126.76 66.24 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.554 0.692 . . . . 0.0 111.166 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 132.49 23.5 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.682 2.255 . . . . 0.0 112.369 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 48' ' ' SER . 85.9 mt -44.13 -23.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' LEU . 9.5 t -34.56 -54.97 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.1 mtmm -61.51 -43.5 98.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.914 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.598 ' CD1' ' CG ' ' A' ' 39' ' ' PHE . 2.6 tp -57.24 -54.6 44.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.8 mtt -58.25 -51.95 67.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.2 mtpp -52.45 -34.65 49.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.29 -23.49 59.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.08 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.439 ' OH ' ' NE2' ' A' ' 95' ' ' GLN . 1.6 t80 -78.27 -48.43 15.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 9.9 p -60.45 -40.04 89.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.511 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 4.7 pt-20 -68.21 -48.74 64.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.511 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 10.9 ttm-85 -42.21 -48.75 4.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -93.03 -18.68 22.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.78 21.7 49.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.471 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.461 ' HB3' ' NE2' ' A' ' 64' ' ' GLN . 5.2 mt -96.39 -176.49 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.815 0.341 . . . . 0.0 110.924 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.7 t -103.2 139.9 38.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 35.8 mmm -51.06 -51.17 55.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -61.95 -35.92 79.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.461 ' NE2' ' HB3' ' A' ' 60' ' ' LEU . 17.9 tt0 -56.78 -42.19 78.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.509 HD12 ' CZ ' ' A' ' 67' ' ' PHE . 46.7 pt -100.71 152.02 5.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.44 ' HD3' ' N ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -112.14 155.02 24.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.509 ' CZ ' HD12 ' A' ' 65' ' ' ILE . 51.8 m-85 -125.75 151.05 47.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 92' ' ' ASP . 27.6 mtt180 -152.14 158.94 43.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.567 ' CE1' ' HE2' ' A' ' 85' ' ' MET . 25.0 t80 -148.36 108.62 4.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.0 t70 68.3 27.89 6.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.46 33.49 31.36 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -142.24 144.0 29.67 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 0.0 110.954 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 122.75 9.42 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.74 2.293 . . . . 0.0 112.302 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.9 pt -105.75 152.6 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -122.22 161.03 24.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -64.44 -29.29 70.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 58.5 p -68.85 -44.29 73.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.55 146.43 25.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.04 157.76 33.54 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.59 0.71 . . . . 0.0 111.138 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.476 ' CD ' ' O ' ' A' ' 45' ' ' THR . 53.4 Cg_endo -69.81 -10.72 29.2 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.24 . . . . 0.0 112.336 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -90.73 -25.07 20.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -71.39 -34.63 70.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.4 mt -93.3 7.51 44.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 59.83 43.55 14.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.567 ' HE2' ' CE1' ' A' ' 69' ' ' PHE . 7.3 mtp -67.96 106.41 2.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 10.5 pt-20 -90.4 165.35 13.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -59.08 148.33 31.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 65.41 37.21 6.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 86' ' ' GLU . 27.8 m-20 -80.74 -176.17 5.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 88.7 m -144.51 120.28 10.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.468 HD13 ' CD1' ' A' ' 27' ' ' LEU . 2.8 mt -99.65 148.03 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 68' ' ' ARG . 0.9 OUTLIER -105.51 120.73 42.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.462 HG22 ' CD2' ' A' ' 67' ' ' PHE . 14.4 t -142.41 155.01 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.459 ' N ' ' CG1' ' A' ' 93' ' ' VAL . 1.5 m-85 -139.79 109.41 6.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.498 ' CB ' ' CG2' ' A' ' 65' ' ' ILE . 7.6 pm0 -121.21 142.63 49.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -97.26 145.02 26.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -66.03 155.15 37.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.973 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 76.8 p -118.7 172.88 7.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.147 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 59.5 p -43.66 131.51 5.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 107.39 137.01 8.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.525 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 146.88 61.91 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.737 2.291 . . . . 0.0 112.363 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 72.8 m -142.86 151.52 41.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 34.7 p -169.51 124.48 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.518 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.3 p -170.55 138.12 1.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.931 0.396 . . . . 0.0 110.797 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 m -150.54 151.37 32.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.885 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.75 96.87 0.27 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -138.24 128.91 26.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.899 0.38 . . . . 0.0 110.879 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 m -120.77 -54.27 2.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.86 65.63 2.79 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.7 tpt -62.88 105.4 0.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.832 0.349 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.23 -57.28 3.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.104 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.3 t0 59.22 40.88 21.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -99.45 -42.12 7.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.479 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 2.6 mmmp? -37.17 -60.05 0.89 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.605 0.717 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 54.1 Cg_endo -69.77 109.75 2.39 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.3 pttt -172.0 138.62 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -163.83 145.2 8.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.74 91.71 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.455 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.2 p -71.0 -29.38 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 111.113 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -156.62 150.11 24.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.9 t -132.03 40.16 3.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.14 -61.28 2.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -139.13 177.27 8.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -124.08 75.81 1.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -115.37 31.18 6.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -103.74 155.57 18.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 13.1 pt -113.57 154.97 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -116.48 131.95 56.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 mt -119.8 130.86 55.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -94.64 116.36 28.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.443 HG22 ' CD1' ' A' ' 39' ' ' PHE . 19.9 t -94.96 123.5 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.93 124.29 51.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.121 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -130.2 -14.11 2.05 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -140.79 163.0 34.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -79.1 39.15 0.37 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -179.24 -26.98 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.496 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.3 m -92.72 136.73 32.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.925 0.393 . . . . 0.0 110.843 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.9 t -143.44 120.17 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.118 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.4 t -115.58 124.04 71.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.492 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -97.24 164.34 12.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' A' ' 38' ' ' GLN . 70.5 m-85 -154.25 136.59 14.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.426 ' C ' ' HD2' ' A' ' 40' ' ' LYS . 0.5 OUTLIER -117.99 133.91 55.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.9 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.6 pt -147.74 -178.74 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -93.44 153.84 18.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.7 mtp85 -61.27 -31.36 71.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -96.66 4.78 51.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.9 m -95.7 129.91 33.22 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.599 0.714 . . . . 0.0 111.117 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 151.02 68.83 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.724 2.283 . . . . 0.0 112.324 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 44.6 mt -68.53 -11.68 60.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 p -41.72 -41.1 2.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.819 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -77.5 -47.99 18.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.492 ' CD1' ' CG ' ' A' ' 39' ' ' PHE . 1.0 OUTLIER -50.35 -51.41 45.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.486 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 16.9 mtt -56.47 -53.4 57.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -52.19 -50.39 61.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.9 -22.49 59.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.124 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -87.44 -22.77 24.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.458 ' HG ' ' N ' ' A' ' 56' ' ' GLU . 3.6 p -87.16 -34.1 19.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.458 ' N ' ' HG ' ' A' ' 55' ' ' CYS . 5.8 pt-20 -70.99 -45.68 63.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.457 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 9.9 ttt-85 -46.28 -51.14 15.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.407 ' HG3' ' NE2' ' A' ' 95' ' ' GLN . 57.4 mm-40 -86.73 -30.0 21.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.85 32.94 7.66 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -102.05 175.13 5.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.844 0.354 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 m -94.98 136.85 34.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.413 ' CE ' ' HB2' ' A' ' 51' ' ' MET . 2.7 ttt -50.65 -49.21 57.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.5 ptp85 -65.68 -20.89 66.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -74.69 -37.38 62.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.2 pt -101.35 155.25 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.8 tpp180 -126.5 144.83 50.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.486 ' CZ ' ' HA ' ' A' ' 51' ' ' MET . 16.2 m-85 -114.66 142.57 46.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -151.27 143.77 24.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.545 ' CE1' ' CG ' ' A' ' 70' ' ' ASP . 6.9 t80 -131.09 131.05 43.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.545 ' CG ' ' CE1' ' A' ' 69' ' ' PHE . 5.0 m-20 63.58 29.89 15.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.14 27.61 59.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -138.57 142.83 35.82 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 110.875 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 111.83 2.91 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.683 2.256 . . . . 0.0 112.342 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.407 ' CD1' ' HB3' ' A' ' 67' ' ' PHE . 2.3 pt -93.11 146.12 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -105.87 157.25 17.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -60.59 -37.18 80.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 77.6 p -62.6 -42.82 99.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.166 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -55.16 147.09 17.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.94 160.8 24.88 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.574 0.702 . . . . 0.0 111.157 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -23.93 30.33 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.82 -25.27 48.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -71.7 -37.13 70.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 mt -96.49 26.05 4.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 40.16 49.76 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.4 mtt -66.6 119.56 11.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -88.66 177.31 6.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -78.52 150.35 32.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 57.35 29.79 17.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -66.16 -175.97 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.0 m -140.51 120.5 13.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 92' ' ' ASP . 3.2 mt -100.49 146.1 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.41 ' N ' HG22 ' A' ' 91' ' ' ILE . 5.5 m-20 -105.73 123.64 48.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 74.1 t -139.44 146.59 25.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.445 ' N ' ' CD1' ' A' ' 94' ' ' PHE . 4.1 m-85 -105.11 113.95 27.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.407 ' NE2' ' HG3' ' A' ' 58' ' ' GLN . 25.0 mt-30 -90.48 110.11 21.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -103.9 119.01 38.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -122.49 162.89 20.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.0 t -116.89 143.84 45.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.9 m 54.85 40.67 32.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.57 84.89 0.41 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 0.92 4.97 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 2.248 . . . . 0.0 112.344 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.1 m -65.83 127.14 30.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.2 m -138.01 141.66 40.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.931 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.0 m80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.767 0.318 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 32.1 pt -116.79 145.74 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -112.81 132.19 55.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.649 HD12 HD11 ' A' ' 91' ' ' ILE . 2.2 mt -119.51 132.6 55.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.625 ' O ' HG23 ' A' ' 90' ' ' THR . 18.9 mtmt -91.04 112.96 25.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.66 HG22 ' HB ' ' A' ' 91' ' ' ILE . 54.7 t -90.99 128.71 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.115 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.095 179.851 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.9 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.885 0.374 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.2 t -108.1 122.47 62.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -90.59 161.54 15.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.609 ' CG ' HD13 ' A' ' 50' ' ' LEU . 95.8 m-85 -151.64 125.34 9.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -104.99 111.95 24.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.0 pt -133.71 179.59 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -94.57 158.44 15.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.638 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 7.8 ptp180 -72.57 -18.26 61.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.24 35.62 3.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.613 HG23 ' HD2' ' A' ' 46' ' ' PRO . 51.7 m -128.06 137.17 30.25 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.595 0.712 . . . . 0.0 111.108 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.613 ' HD2' HG23 ' A' ' 45' ' ' THR . 53.5 Cg_endo -69.74 128.91 16.72 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.604 HD22 HD23 ' A' ' 50' ' ' LEU . 62.4 mt -48.29 -19.44 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 47' ' ' LEU . 88.2 p -34.68 -58.5 0.5 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -48.27 81.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.609 HD13 ' CG ' ' A' ' 39' ' ' PHE . 1.3 tp -53.35 -58.94 5.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.964 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.431 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 4.0 mtt -52.0 -59.73 4.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -41.35 -50.1 3.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.87 -36.47 79.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.023 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.556 ' CE2' HG11 ' A' ' 93' ' ' VAL . 86.1 t80 -61.73 -29.4 70.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 59' ' ' GLY . 85.5 m -77.51 -60.07 2.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 57' ' ' ARG . 7.4 pt-20 -47.42 -41.31 19.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.454 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 47.3 ttt85 -53.28 -50.15 65.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.476 ' HG3' ' NE2' ' A' ' 95' ' ' GLN . 79.1 mm-40 -95.77 -0.38 51.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 63.7 31.51 81.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.2 mt -100.86 -175.85 3.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.8 t -115.48 138.65 50.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.6 ttm -48.64 -42.34 34.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.9 mtm105 -64.36 -55.17 22.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -46.33 -43.62 16.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.9 pt -99.47 172.8 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -145.62 146.65 31.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.929 ' HB3' HD11 ' A' ' 74' ' ' ILE . 96.1 m-85 -108.94 158.46 17.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -160.67 155.21 23.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.494 ' CD1' ' HE3' ' A' ' 85' ' ' MET . 88.3 t80 -140.84 111.09 6.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.3 t70 68.94 25.53 6.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.89 34.93 26.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -140.8 145.44 39.87 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.583 0.706 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 118.83 5.91 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.929 HD11 ' HB3' ' A' ' 67' ' ' PHE . 3.2 pt -104.71 145.8 12.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.199 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -113.18 133.77 54.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -41.37 -35.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 68.1 p -60.43 -44.31 95.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.31 157.12 6.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.507 HG22 ' C ' ' A' ' 45' ' ' THR . 0.8 OUTLIER -113.75 159.92 33.95 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.582 0.706 . . . . 0.0 111.162 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.44 ' CD ' ' O ' ' A' ' 45' ' ' THR . 53.9 Cg_endo -69.7 -14.1 35.77 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.387 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 43' ' ' ARG . . . -86.14 -27.68 24.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.054 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -71.87 -37.17 70.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 21.3 mt -87.75 3.91 46.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 62.5 39.18 11.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.494 ' HE3' ' CD1' ' A' ' 69' ' ' PHE . 7.6 mtt -62.24 107.27 0.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.7 mp0 -77.61 179.42 6.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -79.48 145.11 33.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.84 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 62.51 40.29 10.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -85.59 -175.63 5.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.625 HG23 ' O ' ' A' ' 28' ' ' LYS . 25.6 m -138.31 133.46 33.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.152 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.66 ' HB ' HG22 ' A' ' 29' ' ' VAL . 17.0 mt -98.24 157.97 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.48 ' N ' HG22 ' A' ' 91' ' ' ILE . 1.0 OUTLIER -110.23 120.78 43.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.556 HG11 ' CE2' ' A' ' 54' ' ' TYR . 60.8 t -145.69 153.78 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.431 ' N ' HG12 ' A' ' 93' ' ' VAL . 6.8 m-85 -118.25 110.21 17.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.476 ' NE2' ' HG3' ' A' ' 58' ' ' GLN . 15.0 mt-30 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.747 0.308 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.566 HG21 ' HE ' ' A' ' 43' ' ' ARG . 49.6 pt -130.28 144.74 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -110.87 128.23 55.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.752 HD12 HD11 ' A' ' 91' ' ' ILE . 6.1 mt -115.95 133.07 56.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.7 ' O ' HG23 ' A' ' 90' ' ' THR . 6.2 mtmp? -90.92 113.03 25.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.454 HG11 ' CE1' ' A' ' 54' ' ' TYR . 16.7 t -89.9 117.1 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.149 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.88 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 85.8 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.866 0.365 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.508 HG12 ' CE1' ' A' ' 39' ' ' PHE . 13.5 t -128.15 122.67 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.4 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 26.3 mt-30 -92.37 163.32 13.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.674 ' CG ' HD13 ' A' ' 50' ' ' LEU . 88.9 m-85 -153.72 123.36 6.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -103.57 109.45 21.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.6 pt -133.4 178.52 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -90.76 168.62 11.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.566 ' HE ' HG21 ' A' ' 25' ' ' ILE . 19.2 mmt85 -77.57 -34.41 53.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -98.29 37.98 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.577 ' C ' HG22 ' A' ' 79' ' ' THR . 30.4 m -126.35 134.66 26.21 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.587 0.708 . . . . 0.0 111.149 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.494 ' HD2' HG23 ' A' ' 45' ' ' THR . 53.6 Cg_endo -69.8 129.83 18.24 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.664 2.243 . . . . 0.0 112.362 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.681 HD22 HD23 ' A' ' 50' ' ' LEU . 54.0 mt -51.98 -16.46 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 47' ' ' LEU . 3.2 p -36.4 -40.79 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -77.11 -41.64 41.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.681 HD23 HD22 ' A' ' 47' ' ' LEU . 1.1 tp -58.95 -53.61 56.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.486 ' C ' ' HE1' ' A' ' 62' ' ' MET . 1.8 mtt -59.01 -54.54 45.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.455 ' N ' ' HE1' ' A' ' 62' ' ' MET . 37.7 mttt -51.02 -44.91 61.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.83 -23.0 67.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.665 ' CE2' HG11 ' A' ' 93' ' ' VAL . 68.8 t80 -80.06 -46.18 16.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 15.3 p -68.5 -37.52 80.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 6.0 pt-20 -69.45 -45.53 68.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.457 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 18.8 ttt-85 -42.57 -50.41 5.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -87.73 -45.31 10.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.28 32.96 2.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.586 HD11 ' OE1' ' A' ' 95' ' ' GLN . 3.0 mt -100.27 173.69 6.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.82 0.343 . . . . 0.0 110.936 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.0 m -88.59 137.67 32.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.823 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.486 ' HE1' ' C ' ' A' ' 51' ' ' MET . 0.3 OUTLIER -60.81 -24.82 66.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.4 ptt-85 -82.04 -24.87 35.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -76.58 -41.59 45.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.617 HG22 ' HA ' ' A' ' 95' ' ' GLN . 2.6 pp -104.03 160.59 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.448 ' O ' HG13 ' A' ' 93' ' ' VAL . 38.0 mmt-85 -140.36 167.91 21.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.446 ' CZ ' ' HA ' ' A' ' 51' ' ' MET . 21.8 m-85 -123.1 154.49 38.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -151.45 157.6 42.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -145.55 121.51 10.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.1 t0 58.52 30.28 19.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.78 33.34 42.43 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.457 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -142.31 142.16 23.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.602 0.715 . . . . 0.0 110.937 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 118.01 5.42 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.683 2.256 . . . . 0.0 112.342 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.504 HG22 HD11 ' A' ' 83' ' ' LEU . 2.4 pt -100.15 147.3 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -110.85 154.86 23.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -62.02 -39.54 92.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 82.4 p -60.33 -29.54 68.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.62 158.42 36.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.831 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.577 HG22 ' C ' ' A' ' 45' ' ' THR . 0.8 OUTLIER -114.77 159.86 35.67 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.638 0.732 . . . . 0.0 111.136 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.462 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.9 Cg_endo -69.69 -17.49 37.88 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.701 2.268 . . . . 0.0 112.358 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.08 -26.08 31.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.07 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -72.92 -31.73 64.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.504 HD11 HG22 ' A' ' 74' ' ' ILE . 11.4 mt -98.82 19.75 14.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 47.16 40.75 10.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.9 mtt -61.57 99.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 54.4 mt-10 -74.79 166.62 23.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -67.36 165.58 16.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 50.23 28.65 3.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.532 ' HB2' HD22 ' A' ' 27' ' ' LEU . 5.7 m-20 -75.32 -175.74 2.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.7 HG23 ' O ' ' A' ' 28' ' ' LYS . 96.9 m -147.07 126.92 13.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.166 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.752 HD11 HD12 ' A' ' 27' ' ' LEU . 7.9 mt -98.23 153.8 3.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.145 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -112.42 120.75 42.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.665 HG11 ' CE2' ' A' ' 54' ' ' TYR . 53.5 t -135.23 151.68 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.512 ' O ' HG22 ' A' ' 65' ' ' ILE . 5.6 m-85 -114.33 109.45 18.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.617 ' HA ' HG22 ' A' ' 65' ' ' ILE . 19.4 mt-30 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 45.8 m80 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.743 0.306 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.0 pt -127.86 148.77 32.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -116.55 130.85 56.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.677 ' HB2' HD11 ' A' ' 91' ' ' ILE . 3.6 mt -116.58 131.51 56.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.444 ' O ' HG23 ' A' ' 90' ' ' THR . 23.6 mtmt -91.03 111.57 23.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.818 HG22 HD12 ' A' ' 91' ' ' ILE . 7.5 t -90.11 125.12 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.12 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.879 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.9 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.824 0.345 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.604 HG12 ' CE1' ' A' ' 39' ' ' PHE . 23.7 t -107.89 122.37 62.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -91.41 162.18 14.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.637 ' CG ' HD13 ' A' ' 50' ' ' LEU . 91.3 m-85 -152.81 122.5 6.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.1 tttm -105.12 110.06 22.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.7 pt -132.5 177.14 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.2 mttp -89.11 157.31 18.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.0 mtp180 -63.7 -38.74 92.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.51 ' CG ' ' O ' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -95.43 41.23 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.647 ' C ' HG22 ' A' ' 79' ' ' THR . 3.2 m -123.77 133.25 24.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.591 0.71 . . . . 0.0 111.109 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.402 ' C ' ' N ' ' A' ' 48' ' ' SER . 54.0 Cg_endo -69.72 122.19 8.88 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.506 HD22 HD23 ' A' ' 50' ' ' LEU . 72.4 mt -44.54 -22.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 47' ' ' LEU . 46.5 t -34.32 -61.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -54.65 -46.76 74.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.637 HD13 ' CG ' ' A' ' 39' ' ' PHE . 2.8 tp -55.56 -57.73 10.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.494 ' O ' ' N ' ' A' ' 54' ' ' TYR . 2.3 mtt -55.1 -66.38 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' MET . 42.7 mttt -38.12 -46.62 1.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.64 -36.89 85.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.537 ' CE2' HG11 ' A' ' 93' ' ' VAL . 87.5 t80 -58.52 -29.61 66.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 59' ' ' GLY . 86.3 m -77.21 -57.37 3.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.839 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.407 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 5.2 pt-20 -53.3 -42.38 66.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.428 ' HD3' HG11 ' A' ' 37' ' ' VAL . 50.7 ttt180 -51.41 -49.67 61.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -99.35 5.04 46.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 56.61 35.92 69.1 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.483 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 75.5 mt -98.6 178.73 4.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.856 0.36 . . . . 0.0 110.934 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.2 m -102.19 131.1 48.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.2 tpt -52.86 -55.61 21.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.47 -40.03 81.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.851 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -60.6 -35.03 75.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.5 pt -103.3 168.21 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.494 ' O ' HG13 ' A' ' 93' ' ' VAL . 31.9 mmt-85 -144.41 155.45 43.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.846 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.858 ' HB3' HD11 ' A' ' 74' ' ' ILE . 95.0 m-85 -117.07 152.15 35.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -154.45 157.0 37.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -144.09 129.78 19.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.4 t0 50.59 26.5 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.59 36.01 30.89 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -140.22 145.41 41.49 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.609 0.719 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 116.12 4.41 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.718 2.279 . . . . 0.0 112.326 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.858 HD11 ' HB3' ' A' ' 67' ' ' PHE . 9.6 pt -100.84 155.77 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -122.42 150.04 43.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -58.75 -33.39 70.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.7 p -67.86 -27.36 66.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -72.63 156.54 38.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.647 HG22 ' C ' ' A' ' 45' ' ' THR . 0.9 OUTLIER -114.71 159.63 36.45 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.637 0.732 . . . . 0.0 111.117 -179.887 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.446 ' CD ' ' O ' ' A' ' 45' ' ' THR . 53.5 Cg_endo -69.76 -15.14 36.94 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.721 2.281 . . . . 0.0 112.282 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.68 -23.87 27.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.086 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -76.02 -32.96 59.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.0 mt -95.51 7.59 45.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 60.66 36.22 19.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 7.1 mtt -57.42 99.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -71.69 177.41 4.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -77.42 152.82 34.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 59.19 27.16 16.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.456 ' HB3' HD22 ' A' ' 27' ' ' LEU . 17.3 t70 -72.2 173.57 8.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 28' ' ' LYS . 33.5 m -131.61 129.84 41.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.818 HD12 HG22 ' A' ' 29' ' ' VAL . 13.0 mt -98.35 152.83 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -106.01 120.71 42.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.537 HG11 ' CE2' ' A' ' 54' ' ' TYR . 59.4 t -144.13 143.47 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -109.69 109.45 20.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.885 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.763 0.316 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.65 HD11 ' HB2' ' A' ' 80' ' ' PRO . 39.8 pt -125.71 140.68 47.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.509 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -89.1 139.09 30.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.625 ' CD1' HD11 ' A' ' 91' ' ' ILE . 3.5 mt -135.22 121.95 20.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.491 ' O ' HG23 ' A' ' 90' ' ' THR . 22.2 mtmt -92.05 111.72 23.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.782 HG22 ' HB ' ' A' ' 91' ' ' ILE . 11.7 t -92.01 134.59 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.838 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.4 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.883 0.373 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.5 t -107.51 122.1 61.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -95.52 152.64 18.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.512 ' CG ' HD13 ' A' ' 50' ' ' LEU . 72.6 m-85 -140.64 126.06 18.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.9 tttt -106.84 102.11 11.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.3 pt -122.25 171.68 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.417 ' HD3' ' NE2' ' A' ' 44' ' ' HIS . 16.3 mtpt -79.46 139.79 37.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.491 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 1.2 ppt_? -58.11 -20.62 41.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.417 ' NE2' ' HD3' ' A' ' 42' ' ' LYS . 2.6 p-80 -103.98 1.57 31.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.407 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 1.8 m -93.22 131.8 32.07 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 111.147 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 132.06 22.59 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.669 2.246 . . . . 0.0 112.374 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.573 HD22 HD23 ' A' ' 50' ' ' LEU . 36.4 mt -46.59 -20.6 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' LEU . 79.9 p -34.36 -54.62 0.52 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -65.36 -46.3 80.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.573 HD23 HD22 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -53.16 -58.03 8.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.963 179.849 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.444 ' C ' ' HE1' ' A' ' 62' ' ' MET . 2.6 mtt -52.73 -52.05 57.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.466 ' N ' ' HE1' ' A' ' 62' ' ' MET . 10.8 mtpp -53.69 -32.9 53.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.13 -25.35 42.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.618 ' CE1' HG11 ' A' ' 93' ' ' VAL . 55.1 t80 -80.18 -36.68 34.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 16.0 p -75.18 -35.3 61.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -75.2 -41.56 57.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -49.66 -48.96 49.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -87.22 -46.29 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.63 28.3 3.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 mt -101.33 172.86 6.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.342 . . . . 0.0 110.95 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.9 t -96.19 146.67 24.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.466 ' HE1' ' N ' ' A' ' 52' ' ' LYS . 3.6 mmt -59.27 -42.47 91.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -30.02 69.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -70.23 -38.74 75.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.541 HG22 ' O ' ' A' ' 94' ' ' PHE . 37.7 pt -102.95 158.92 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.3 mmt-85 -138.16 128.11 25.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.713 ' HB3' HD11 ' A' ' 74' ' ' ILE . 77.6 m-85 -90.62 148.01 22.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -150.43 155.28 39.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.455 ' CG ' ' HE3' ' A' ' 85' ' ' MET . 78.4 t80 -145.68 108.49 4.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.2 t70 72.83 26.42 2.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.32 35.24 34.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.502 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -140.56 142.87 30.51 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.64 0.733 . . . . 0.0 110.919 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 120.43 7.23 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.652 2.235 . . . . 0.0 112.355 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.713 HD11 ' HB3' ' A' ' 67' ' ' PHE . 6.6 pt -105.62 144.35 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -116.29 147.21 41.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -49.7 -41.99 44.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.3 p -54.77 -42.61 71.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -63.13 145.47 55.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.64 160.53 26.25 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.556 0.693 . . . . 0.0 111.198 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.65 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.7 Cg_endo -69.71 -17.78 37.6 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 43' ' ' ARG . . . -83.38 -30.12 27.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -65.47 -40.7 93.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 mt -84.44 5.38 27.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 60.93 43.47 11.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.455 ' HE3' ' CG ' ' A' ' 69' ' ' PHE . 10.7 mtp -71.57 106.68 4.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 16.3 pt-20 -84.76 167.58 15.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -61.42 146.68 47.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 67.47 36.55 3.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 86' ' ' GLU . 17.8 m-20 -81.16 -176.15 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.838 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 28' ' ' LYS . 96.6 m -140.68 126.48 19.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.782 ' HB ' HG22 ' A' ' 29' ' ' VAL . 6.8 mt -100.17 145.55 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -105.84 121.41 43.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.618 HG11 ' CE1' ' A' ' 54' ' ' TYR . 91.3 t -141.66 151.58 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.541 ' O ' HG22 ' A' ' 65' ' ' ILE . 40.0 m-85 -112.31 112.08 23.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.948 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.814 0.34 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.563 HD12 ' HB3' ' A' ' 85' ' ' MET . 5.7 pt -119.2 151.48 21.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -116.22 130.26 56.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.787 HD12 HD11 ' A' ' 91' ' ' ILE . 2.7 mt -118.3 131.18 56.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.3 mttt -93.55 116.71 29.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.774 HG22 ' HB ' ' A' ' 91' ' ' ILE . 45.0 t -94.08 131.78 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.817 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.2 t . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.817 0.341 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.8 t -111.19 123.36 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -94.16 159.35 15.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.576 ' CG ' HD13 ' A' ' 50' ' ' LEU . 93.3 m-85 -150.35 127.86 11.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.7 tttp -110.97 110.62 21.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.8 pt -129.85 178.13 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.142 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -88.15 159.04 18.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.612 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 13.2 ptt180 -72.69 -13.41 61.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -113.66 19.35 16.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.4 m -111.01 132.11 21.83 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 111.132 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 131.74 21.86 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.682 HD22 HD23 ' A' ' 50' ' ' LEU . 27.0 mt -49.41 -19.28 0.5 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.957 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 47' ' ' LEU . 89.8 p -35.5 -52.6 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -66.97 -41.16 87.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.682 HD23 HD22 ' A' ' 47' ' ' LEU . 0.8 OUTLIER -56.5 -57.18 13.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.492 ' HB3' ' CZ ' ' A' ' 67' ' ' PHE . 3.6 mtt -53.78 -57.76 9.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -43.19 -56.21 3.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.91 -38.24 64.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.111 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.466 ' CE1' HG11 ' A' ' 93' ' ' VAL . 59.4 t80 -67.46 -23.9 65.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 78.9 m -85.63 -43.06 13.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -70.14 -42.61 72.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.7 ttm-85 -47.69 -45.28 28.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.455 ' HG3' ' NE2' ' A' ' 95' ' ' GLN . 35.0 mm-40 -90.7 -59.12 2.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 131.64 30.06 0.56 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mt -108.15 176.68 5.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.34 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 t -102.87 169.62 8.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 58.7 mmm -79.08 -45.19 20.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -3.93 25.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -95.84 -31.42 13.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.6 pt -113.6 164.71 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -134.77 147.87 50.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 51' ' ' MET . 77.0 m-85 -111.27 144.99 39.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 24.6 mtt-85 -138.15 152.06 48.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.61 ' CD1' ' CE ' ' A' ' 85' ' ' MET . 66.3 t80 -142.87 106.02 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.5 t0 69.62 28.83 4.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.86 29.27 43.04 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -141.77 146.01 39.29 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.631 0.729 . . . . 0.0 110.877 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 128.61 16.3 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.596 HD13 ' HB2' ' A' ' 69' ' ' PHE . 1.4 pt -112.34 135.75 50.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.124 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.453 ' H ' ' ND2' ' A' ' 75' ' ' ASN . 0.0 OUTLIER -98.05 150.16 21.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -58.14 -30.01 66.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 59.7 p -68.5 -43.08 77.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.172 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.447 ' CG ' ' OD1' ' A' ' 75' ' ' ASN . 29.2 m-20 -55.26 151.99 8.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.35 160.81 27.05 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.563 0.696 . . . . 0.0 111.141 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -20.28 34.91 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.656 2.237 . . . . 0.0 112.355 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 43' ' ' ARG . . . -79.37 -30.58 42.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.93 -40.91 95.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.6 mt -90.35 9.17 29.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 85' ' ' MET . 8.3 mt-10 55.36 33.56 21.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.61 ' CE ' ' CD1' ' A' ' 69' ' ' PHE . 3.3 mmt -37.05 119.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -78.89 162.71 25.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.57 133.84 44.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 64.38 33.93 10.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -68.24 -174.99 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.9 m -135.72 123.41 22.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.152 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.787 HD11 HD12 ' A' ' 27' ' ' LEU . 5.8 mt -98.56 144.56 11.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -106.3 123.43 48.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.523 HG12 ' N ' ' A' ' 94' ' ' PHE . 91.4 t -140.01 158.55 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.523 ' N ' HG12 ' A' ' 93' ' ' VAL . 1.0 OUTLIER -119.1 121.19 39.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.455 ' NE2' ' HG3' ' A' ' 58' ' ' GLN . 31.5 mt-30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 17.4 m170 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.824 0.345 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.608 HD11 ' HB2' ' A' ' 80' ' ' PRO . 16.6 pt -116.96 143.49 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -106.94 124.94 50.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.656 ' CD1' HD11 ' A' ' 91' ' ' ILE . 2.2 mt -115.28 125.85 53.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -90.92 115.44 27.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.773 HG22 ' HB ' ' A' ' 91' ' ' ILE . 57.5 t -92.1 113.32 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.062 179.916 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 87.8 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.893 0.378 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.439 HG12 ' CE1' ' A' ' 39' ' ' PHE . 14.6 t -107.25 121.98 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -96.71 161.55 13.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.78 ' CG ' HD13 ' A' ' 50' ' ' LEU . 96.9 m-85 -150.56 136.58 18.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -118.58 105.82 12.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.9 pt -128.24 177.47 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -88.55 160.54 17.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -67.86 -37.75 82.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -84.08 -7.7 59.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.482 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 13.7 m -83.73 130.33 56.01 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.552 0.692 . . . . 0.0 111.143 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 137.82 36.38 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.253 . . . . 0.0 112.343 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.531 HD22 HD23 ' A' ' 50' ' ' LEU . 69.5 mt -51.55 -21.26 2.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 47' ' ' LEU . 8.9 t -34.96 -62.27 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.9 mmtm -53.12 -45.37 68.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.78 HD13 ' CG ' ' A' ' 39' ' ' PHE . 1.3 tp -57.32 -61.37 2.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.971 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.437 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 2.4 mtt -49.32 -68.21 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -37.84 -52.92 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.22 -45.31 68.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.424 ' CE2' HG11 ' A' ' 93' ' ' VAL . 84.4 t80 -53.95 -29.64 43.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.487 ' SG ' HD11 ' A' ' 65' ' ' ILE . 7.7 m -77.61 -59.56 2.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -53.73 -41.21 66.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 44.6 ttm-85 -44.98 -46.84 11.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -95.19 -57.8 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.54 32.99 0.5 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.492 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mt -107.81 178.35 4.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.35 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 t -92.69 135.54 34.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.74 -30.98 57.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -77.12 -48.02 18.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -47.78 -41.09 22.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.487 HD11 ' SG ' ' A' ' 55' ' ' CYS . 31.1 pt -97.8 156.49 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -130.31 150.06 51.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.57 ' HB3' HD11 ' A' ' 74' ' ' ILE . 89.9 m-85 -116.16 146.76 42.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.483 ' CG ' ' HB3' ' A' ' 92' ' ' ASP . 9.6 ptt180 -153.41 141.12 19.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.457 ' HB3' ' CG2' ' A' ' 74' ' ' ILE . 48.3 t80 -126.22 130.85 51.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.0 t70 62.9 32.91 15.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.03 28.87 63.64 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.505 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -141.34 146.65 43.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.592 0.71 . . . . 0.0 110.907 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 112.25 3.03 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.646 2.231 . . . . 0.0 112.337 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.57 HD11 ' HB3' ' A' ' 67' ' ' PHE . 3.8 pt -93.79 148.71 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -114.15 144.96 42.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.429 ' HB2' ' CB ' ' A' ' 48' ' ' SER . 13.1 pt-20 -49.74 -43.19 47.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 69.9 p -51.83 -48.2 64.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -57.08 156.37 7.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.59 158.21 36.14 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.595 0.712 . . . . 0.0 111.102 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.608 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.9 Cg_endo -69.75 -10.47 28.65 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.638 2.226 . . . . 0.0 112.369 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -90.45 -28.77 18.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -68.93 -35.93 77.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.957 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.7 mt -90.13 3.3 53.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 61.93 36.4 15.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.7 mtt -51.18 106.74 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -72.24 171.59 11.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -69.43 155.22 40.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 11.0 pt-20 43.72 38.56 2.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -66.15 -175.25 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 85.2 m -141.7 118.9 11.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.773 ' HB ' HG22 ' A' ' 29' ' ' VAL . 4.7 mt -98.21 147.26 6.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.483 ' HB3' ' CG ' ' A' ' 68' ' ' ARG . 2.9 t70 -108.81 120.84 43.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.491 HG23 HG13 ' A' ' 29' ' ' VAL . 90.9 t -132.19 156.17 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.481 ' N ' HG12 ' A' ' 93' ' ' VAL . 2.5 m-85 -114.45 109.58 18.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.922 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.782 0.325 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.555 HD11 ' HB2' ' A' ' 80' ' ' PRO . 7.8 pt -125.52 144.96 33.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -112.57 115.15 28.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.8 ' HB2' HD11 ' A' ' 91' ' ' ILE . 6.8 mt -103.48 130.61 50.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -91.08 112.15 23.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.681 HG22 HD12 ' A' ' 91' ' ' ILE . 40.8 t -93.07 130.98 41.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 179.908 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 76.7 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.878 0.371 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 t -117.78 121.9 68.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -101.1 163.5 12.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.787 ' CG ' HD13 ' A' ' 50' ' ' LEU . 91.7 m-85 -153.46 124.62 7.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -108.33 111.07 22.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.2 pt -132.1 178.32 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -88.68 159.63 17.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.2 ptt85 -66.66 -33.42 75.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -89.24 -8.08 54.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.473 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 2.4 m -82.29 130.62 58.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.577 0.703 . . . . 0.0 111.143 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 150.8 68.79 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.697 2.265 . . . . 0.0 112.34 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.528 HD22 HD23 ' A' ' 50' ' ' LEU . 70.8 mt -66.43 -17.86 65.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.427 ' CB ' ' HB2' ' A' ' 76' ' ' GLU . 13.9 t -39.17 -54.87 1.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.9 mttm -61.37 -42.64 99.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.787 HD13 ' CG ' ' A' ' 39' ' ' PHE . 1.0 OUTLIER -57.59 -59.92 4.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.554 ' HG2' ' CD1' ' A' ' 67' ' ' PHE . 3.2 mtt -48.51 -56.38 8.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -50.17 -43.49 52.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.62 -21.79 65.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.069 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 81.8 t80 -86.5 -34.8 19.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.7 p -76.43 -31.57 57.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 4.8 pt-20 -78.8 -43.37 25.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.421 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 34.5 ttm-85 -45.63 -35.74 4.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 -102.52 -53.84 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 125.99 28.88 0.99 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.425 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mt -101.48 173.76 6.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.3 m -99.46 139.34 35.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.491 ' CE ' ' HB2' ' A' ' 51' ' ' MET . 1.2 ttt -44.76 -52.97 7.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.5 ptt-85 -60.41 -50.92 71.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -43.76 -44.11 6.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.5 pt -99.89 168.19 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -146.7 138.62 24.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.554 ' CD1' ' HG2' ' A' ' 51' ' ' MET . 89.0 m-85 -101.09 160.67 14.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' A' ' 67' ' ' PHE . 31.7 mtt180 -163.39 140.34 7.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.577 ' CD2' ' HE3' ' A' ' 85' ' ' MET . 27.3 t80 -124.79 107.22 10.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.3 t0 74.35 26.43 1.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.45 31.44 37.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.422 ' NE2' ' O ' ' A' ' 69' ' ' PHE . 1.8 pt20 -134.15 142.51 43.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.541 0.686 . . . . 0.0 110.898 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 123.64 10.27 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.682 2.254 . . . . 0.0 112.329 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 pt -114.73 136.78 50.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -102.63 154.7 18.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.427 ' HB2' ' CB ' ' A' ' 48' ' ' SER . 7.9 pt-20 -57.45 -43.59 84.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 77.7 p -56.72 -35.62 68.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.16 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.1 159.08 15.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.85 160.14 37.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.565 0.697 . . . . 0.0 111.118 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.555 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.2 Cg_endo -69.79 -14.78 36.48 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.72 2.28 . . . . 0.0 112.304 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.54 -26.89 27.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -73.4 -29.04 62.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.2 mt -87.69 3.61 47.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 62.8 47.25 4.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.577 ' HE3' ' CD2' ' A' ' 69' ' ' PHE . 7.8 mtt -79.24 130.06 35.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.406 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 17.6 mt-10 -94.8 -71.2 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.525 ' OD1' HG22 ' A' ' 25' ' ' ILE . 3.5 m-20 -175.68 162.61 2.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 43.26 29.51 0.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.47 ' HB2' HD22 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -75.0 124.78 27.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.5 m -78.22 131.33 37.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.8 HD11 ' HB2' ' A' ' 27' ' ' LEU . 13.2 mt -98.16 151.75 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -109.82 120.74 43.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.545 HG12 ' N ' ' A' ' 94' ' ' PHE . 59.4 t -138.67 160.16 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.545 ' N ' HG12 ' A' ' 93' ' ' VAL . 5.8 m-85 -124.79 109.45 13.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.942 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.761 0.315 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.423 HD11 ' HB2' ' A' ' 80' ' ' PRO . 26.5 pt -131.38 145.51 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.108 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -112.53 120.62 42.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.695 ' CD1' HD11 ' A' ' 91' ' ' ILE . 3.4 mt -103.84 130.71 51.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.743 ' O ' HG23 ' A' ' 90' ' ' THR . 22.3 mtmt -93.33 112.83 24.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.919 HG22 ' HB ' ' A' ' 91' ' ' ILE . 97.0 t -93.24 128.35 44.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.143 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.859 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 82.3 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.903 0.382 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.7 t -111.53 122.0 65.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -98.65 157.2 16.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.669 ' CG ' HD13 ' A' ' 50' ' ' LEU . 86.8 m-85 -145.6 133.43 21.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -106.9 114.6 28.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.4 pt -136.12 179.4 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -95.47 158.38 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.468 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -66.32 -22.76 66.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -112.39 47.4 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.734 ' C ' HG22 ' A' ' 79' ' ' THR . 63.2 m -134.25 134.87 23.16 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.563 0.697 . . . . 0.0 111.164 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.503 ' HD2' HG23 ' A' ' 45' ' ' THR . 53.6 Cg_endo -69.78 129.81 18.22 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.252 . . . . 0.0 112.358 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.718 HD22 HD23 ' A' ' 50' ' ' LEU . 59.6 mt -53.05 -19.12 2.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 47' ' ' LEU . 81.4 p -35.26 -48.28 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -70.01 -49.2 53.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.718 HD23 HD22 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -49.61 -52.21 32.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.6 mtt -57.12 -57.2 13.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -47.45 -35.57 8.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.57 -26.77 60.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.581 ' CE2' HG11 ' A' ' 93' ' ' VAL . 62.5 t80 -80.82 -40.23 25.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 12.7 p -73.02 -39.43 66.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 6.0 pt-20 -67.36 -44.34 79.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.438 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 18.6 ttt85 -51.46 -43.4 62.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -95.5 -5.48 42.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.88 20.86 76.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.5 mt -89.11 179.24 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.371 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.9 t -105.32 136.5 44.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.9 ttm -54.3 -42.5 70.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -67.89 -30.6 69.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -69.88 -41.6 74.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.3 pt -98.27 155.56 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 -121.43 147.31 45.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.562 ' HB3' HD11 ' A' ' 74' ' ' ILE . 97.1 m-85 -113.38 146.69 39.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.3 mtm-85 -151.48 162.6 40.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.576 ' CZ ' ' HG2' ' A' ' 85' ' ' MET . 27.8 t80 -149.25 110.59 4.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.9 t70 65.47 26.04 11.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.94 34.56 14.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -139.99 138.48 19.64 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.645 0.736 . . . . 0.0 110.89 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 116.1 4.4 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.712 2.275 . . . . 0.0 112.344 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.562 HD11 ' HB3' ' A' ' 67' ' ' PHE . 10.8 pt -103.98 146.41 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -113.79 172.96 6.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -73.13 -29.64 63.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 36.1 p -81.92 14.78 2.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -111.3 149.15 31.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.734 HG22 ' C ' ' A' ' 45' ' ' THR . 0.8 OUTLIER -110.28 160.61 27.72 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.607 0.718 . . . . 0.0 111.127 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.423 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.4 Cg_endo -69.78 -24.82 29.17 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.66 2.24 . . . . 0.0 112.365 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' A' ' 43' ' ' ARG . . . -77.53 -24.54 49.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -75.07 -33.66 61.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.1 mt -83.56 8.07 15.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 62.39 44.54 7.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.576 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 30.3 mtt -76.53 148.05 37.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -107.17 -74.47 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 89' ' ' ASP . 4.4 p30 -175.56 164.07 3.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 39.7 27.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 87' ' ' ASP . 6.8 m-20 -62.95 -175.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.743 HG23 ' O ' ' A' ' 28' ' ' LYS . 70.2 m -139.92 130.33 25.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.919 ' HB ' HG22 ' A' ' 29' ' ' VAL . 5.4 mt -99.83 151.41 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -107.34 123.03 47.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.581 HG11 ' CE2' ' A' ' 54' ' ' TYR . 54.1 t -141.41 154.04 20.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.411 ' N ' ' CG1' ' A' ' 93' ' ' VAL . 9.4 m-85 -126.33 111.47 14.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 -179.904 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.538 ' CE1' ' HG2' ' A' ' 42' ' ' LYS . 47.5 m-70 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.759 0.314 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.449 HD11 ' HB2' ' A' ' 80' ' ' PRO . 47.6 pt -131.99 145.14 35.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -111.2 134.24 52.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.608 HD12 HD11 ' A' ' 91' ' ' ILE . 7.3 mt -120.06 129.19 54.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -90.92 109.76 20.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.933 HG22 ' HB ' ' A' ' 91' ' ' ILE . 73.7 t -89.98 128.39 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.093 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.05 179.911 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.4 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.86 0.362 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.0 t -110.57 121.99 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.098 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.401 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 43.3 mt-30 -96.27 165.09 12.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.658 ' CG ' HD13 ' A' ' 50' ' ' LEU . 81.6 m-85 -152.29 135.15 15.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -109.97 108.56 18.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.8 pt -133.08 175.16 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.538 ' HG2' ' CE1' ' A' ' 24' ' ' HIS . 24.9 mttp -93.41 161.27 14.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.639 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 4.8 ptm180 -64.8 -43.38 93.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.05 37.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.555 ' C ' HG22 ' A' ' 79' ' ' THR . 54.0 m -124.54 131.43 24.16 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.572 0.701 . . . . 0.0 111.142 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 125.46 12.16 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.553 HD22 HD23 ' A' ' 50' ' ' LEU . 86.6 mt -44.8 -22.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 47' ' ' LEU . 7.5 t -34.31 -57.82 0.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -58.1 -42.43 85.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.786 HD21 ' CD1' ' A' ' 91' ' ' ILE . 1.9 tp -60.12 -61.52 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.507 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 2.1 mtt -48.49 -58.84 4.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.421 ' HG2' ' HE3' ' A' ' 62' ' ' MET . 7.3 mmmt -45.62 -41.43 10.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.56 -30.46 71.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.659 ' CE2' HG11 ' A' ' 29' ' ' VAL . 48.8 t80 -77.52 -39.73 45.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.4 p -74.02 -31.72 63.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 4.1 pt-20 -76.1 -44.73 37.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.446 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 21.4 ttt180 -45.22 -48.56 12.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.4 ' HG3' ' NE2' ' A' ' 95' ' ' GLN . 19.9 mm100 -89.18 -41.0 12.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.27 25.37 5.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.544 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.5 mt -98.44 169.68 9.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.786 0.327 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.3 p -99.13 135.06 41.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.421 ' HE3' ' HG2' ' A' ' 52' ' ' LYS . 7.3 ttm -40.6 -55.98 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -50.44 -52.18 40.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -49.53 -33.87 15.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.4 pt -106.43 172.99 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.09 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -147.39 129.37 15.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.676 ' HB3' HD11 ' A' ' 74' ' ' ILE . 86.5 m-85 -96.49 148.08 23.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -146.53 162.02 39.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.418 ' CG ' ' HE3' ' A' ' 85' ' ' MET . 66.0 t80 -148.25 106.29 3.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.4 t70 64.69 30.76 12.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.15 38.13 35.6 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -138.66 142.09 33.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.653 0.74 . . . . 0.0 110.85 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 113.76 3.49 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.314 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.676 HD11 ' HB3' ' A' ' 67' ' ' PHE . 15.5 pt -105.19 150.25 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -123.2 152.62 41.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -54.54 -43.77 72.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 57.4 p -54.58 -44.91 73.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -58.43 150.3 22.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.555 HG22 ' C ' ' A' ' 45' ' ' THR . 0.7 OUTLIER -108.41 160.34 27.45 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.582 0.706 . . . . 0.0 111.154 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.459 ' CD ' ' O ' ' A' ' 45' ' ' THR . 54.1 Cg_endo -69.74 -20.85 34.4 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.336 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.639 ' HB2' ' HB2' ' A' ' 43' ' ' ARG . . . -80.21 -22.13 42.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.11 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -75.61 -34.17 60.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.6 mt -96.36 18.72 13.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 50.35 42.0 25.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.418 ' HE3' ' CG ' ' A' ' 69' ' ' PHE . 7.0 mtt -67.27 103.16 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.449 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 18.9 pt-20 -82.19 167.92 18.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -64.05 155.34 31.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 62.77 27.51 16.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.553 ' HB2' HD22 ' A' ' 27' ' ' LEU . 12.5 m-20 -71.56 -177.52 1.89 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 91.0 m -142.85 123.77 14.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.933 ' HB ' HG22 ' A' ' 29' ' ' VAL . 5.0 mt -98.37 146.34 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.082 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -105.39 120.75 42.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.562 HG11 ' CE1' ' A' ' 54' ' ' TYR . 89.1 t -139.86 157.93 26.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.505 ' N ' HG12 ' A' ' 93' ' ' VAL . 65.0 m-85 -129.94 115.23 16.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.4 ' NE2' ' HG3' ' A' ' 58' ' ' GLN . 79.6 mt-30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.2 m80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.735 0.303 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.617 HD11 ' HB2' ' A' ' 80' ' ' PRO . 20.5 pt -111.53 135.1 51.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -96.2 123.84 39.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.745 ' CD1' HD11 ' A' ' 91' ' ' ILE . 3.3 mt -114.14 128.49 56.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.422 ' O ' HG23 ' A' ' 90' ' ' THR . 40.5 mttt -92.82 108.98 20.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.641 HG22 ' HB ' ' A' ' 91' ' ' ILE . 14.3 t -91.06 126.0 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.095 179.873 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.7 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.88 0.372 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.646 HG12 ' CE1' ' A' ' 39' ' ' PHE . 3.0 t -107.28 121.98 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.5 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 42.5 mt-30 -100.77 162.32 12.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.646 ' CE1' HG12 ' A' ' 37' ' ' VAL . 69.1 m-85 -154.39 128.69 9.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.1 tttp -107.06 107.16 18.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.2 pt -129.68 175.66 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -86.99 155.24 20.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 6.2 ptp180 -67.06 -25.11 66.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -96.56 -10.1 28.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.412 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 2.4 m -80.26 132.51 59.21 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.58 0.705 . . . . 0.0 111.177 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 134.9 29.13 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.72 2.28 . . . . 0.0 112.371 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.641 HD22 HD23 ' A' ' 50' ' ' LEU . 38.7 mt -48.63 -20.98 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' LEU . 34.5 t -35.12 -55.99 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.809 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.03 -41.63 98.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.641 HD23 HD22 ' A' ' 47' ' ' LEU . 1.8 tp -58.39 -54.08 51.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.55 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 3.1 mtt -58.1 -54.64 44.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -46.82 -56.18 6.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.26 -38.94 69.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.144 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -63.07 -29.49 70.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 9.1 m -80.53 -55.3 4.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 13.5 pt-20 -52.67 -45.09 66.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.438 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 10.9 ttt85 -45.95 -45.05 15.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -97.9 0.92 47.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.96 34.45 82.06 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mt -113.25 -175.16 2.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 110.937 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.6 m -112.19 150.08 31.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 54.8 mtp -54.83 -48.47 72.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 33.5 ptt-85 -60.15 -47.17 87.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -48.01 -28.16 2.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.8 pt -118.4 172.82 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -135.71 144.85 46.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.734 ' HB3' HD11 ' A' ' 74' ' ' ILE . 83.1 m-85 -111.12 141.1 45.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 92' ' ' ASP . 13.4 mmt180 -142.14 156.3 45.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.41 ' CG ' ' HE3' ' A' ' 85' ' ' MET . 59.0 t80 -148.08 116.18 6.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.0 t70 60.33 30.48 19.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.72 32.81 48.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.515 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.434 ' C ' ' HD3' ' A' ' 68' ' ' ARG . 12.6 mm100 -137.9 140.91 30.82 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.599 0.714 . . . . 0.0 110.92 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 112.31 3.04 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.74 2.294 . . . . 0.0 112.302 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.734 HD11 ' HB3' ' A' ' 67' ' ' PHE . 7.2 pt -100.14 147.54 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -118.58 159.52 23.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -59.87 -42.99 94.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 79.1 p -53.73 -48.99 69.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -55.46 154.92 5.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -111.16 158.97 34.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.569 0.699 . . . . 0.0 111.141 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.617 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.8 Cg_endo -69.79 -8.95 24.9 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 43' ' ' ARG . . . -90.92 -36.11 14.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -59.48 -32.11 69.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 mt -96.89 3.59 52.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 58.47 50.45 9.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.41 ' HE3' ' CG ' ' A' ' 69' ' ' PHE . 11.4 mtp -70.54 105.86 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.418 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 18.9 mt-10 -73.93 171.97 12.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -69.01 156.65 38.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 54.49 28.76 10.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 86' ' ' GLU . 11.2 m-20 -66.91 -177.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 28' ' ' LYS . 85.3 m -142.92 122.23 13.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.745 HD11 ' CD1' ' A' ' 27' ' ' LEU . 2.9 mt -99.31 146.19 9.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 68' ' ' ARG . 21.1 m-20 -105.72 120.68 42.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.666 HG22 ' HA ' ' A' ' 67' ' ' PHE . 24.8 t -137.32 159.94 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.532 ' N ' ' CG1' ' A' ' 93' ' ' VAL . 0.8 OUTLIER -138.17 109.5 6.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.813 0.34 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.415 HD11 ' HB2' ' A' ' 80' ' ' PRO . 34.2 pt -124.06 145.24 31.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.5 m-80 -111.39 130.51 55.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.513 HD12 HD11 ' A' ' 91' ' ' ILE . 7.4 mt -116.9 129.82 56.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -90.95 111.45 22.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.814 HG22 ' HB ' ' A' ' 91' ' ' ILE . 40.8 t -90.32 123.3 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.074 179.895 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.7 t . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.866 0.365 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.655 HG12 ' CE1' ' A' ' 39' ' ' PHE . 31.5 t -106.04 123.03 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.166 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -99.29 160.82 14.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.655 ' CE1' HG12 ' A' ' 37' ' ' VAL . 87.1 m-85 -148.35 133.04 17.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -111.08 111.95 23.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.5 pt -133.32 177.15 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.5 mttm -90.62 155.45 18.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -64.82 -28.7 69.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -94.51 -5.65 45.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.441 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 15.7 m -83.75 129.65 58.64 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.553 0.692 . . . . 0.0 111.179 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 134.16 27.24 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.673 2.249 . . . . 0.0 112.317 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.504 HD22 HD23 ' A' ' 50' ' ' LEU . 81.0 mt -47.35 -25.55 1.04 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 47' ' ' LEU . 13.0 p -34.5 -54.73 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -60.81 -40.17 91.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.564 HD13 ' CG ' ' A' ' 39' ' ' PHE . 1.7 tp -62.27 -56.8 14.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.1 mtt -53.62 -49.54 67.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -52.92 -48.8 67.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.01 -27.44 69.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.482 ' CE2' HG11 ' A' ' 93' ' ' VAL . 61.1 t80 -73.3 -33.44 65.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.937 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 32.6 m -76.87 -43.15 37.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -66.57 -41.97 87.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.8 ttt-85 -46.35 -55.71 6.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -84.16 -53.63 5.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 124.79 33.66 0.74 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.469 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mt -108.91 177.68 4.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.348 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 t -102.73 148.05 26.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 15.2 mmm -52.79 -53.99 40.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -59.91 -42.9 94.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -51.95 -42.82 63.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.0 pt -102.96 172.75 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.414 ' NH1' ' HB3' ' A' ' 66' ' ' ARG . 3.6 mmm180 -142.34 148.72 38.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.689 ' HB3' HD11 ' A' ' 74' ' ' ILE . 85.0 m-85 -115.34 149.49 37.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -152.57 149.93 29.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.525 ' CD1' ' CE ' ' A' ' 85' ' ' MET . 87.1 t80 -129.73 114.43 15.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 61.92 27.3 16.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.01 33.14 24.54 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.458 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -137.85 143.44 40.05 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.656 0.741 . . . . 0.0 110.904 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 120.26 7.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.685 2.257 . . . . 0.0 112.304 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.689 HD11 ' HB3' ' A' ' 67' ' ' PHE . 5.3 pt -107.24 146.55 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.164 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -114.86 136.07 53.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.403 ' HB2' ' CB ' ' A' ' 48' ' ' SER . 10.1 pt-20 -42.46 -44.23 3.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 75.0 p -52.75 -47.75 67.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.17 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -52.94 159.25 1.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -114.72 159.51 36.95 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.622 0.725 . . . . 0.0 111.129 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.441 ' CD ' ' O ' ' A' ' 45' ' ' THR . 53.7 Cg_endo -69.74 -14.95 36.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.342 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.62 -29.78 25.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -67.93 -33.07 73.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.415 ' O ' ' CG ' ' A' ' 84' ' ' GLU . 16.8 mt -97.08 21.1 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 83' ' ' LEU . 8.3 pt-20 43.02 46.9 4.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.525 ' CE ' ' CD1' ' A' ' 69' ' ' PHE . 8.7 mtt -68.19 102.5 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.457 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 11.4 pt-20 -84.07 161.45 20.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.825 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -58.54 155.37 12.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 62.66 32.42 16.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.474 ' HB2' HD22 ' A' ' 27' ' ' LEU . 12.7 m-20 -79.69 -176.66 5.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.812 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 96.9 m -143.39 129.57 19.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.814 ' HB ' HG22 ' A' ' 29' ' ' VAL . 8.4 mt -100.89 147.98 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.16 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -107.04 120.9 43.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.815 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.482 HG11 ' CE2' ' A' ' 54' ' ' TYR . 96.6 t -143.05 152.46 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.41 ' N ' HG12 ' A' ' 93' ' ' VAL . 10.2 m-85 -120.4 110.63 16.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.951 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.593 ' CE1' ' HG2' ' A' ' 42' ' ' LYS . 8.4 m80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.707 0.289 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.713 HD11 ' HB2' ' A' ' 80' ' ' PRO . 27.8 pt -130.16 133.6 63.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.117 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -96.75 131.09 43.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.585 ' CD1' HD11 ' A' ' 91' ' ' ILE . 9.9 mt -119.39 129.21 54.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -90.9 112.49 24.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.619 HG11 ' CE2' ' A' ' 54' ' ' TYR . 32.7 t -93.79 114.2 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.074 179.892 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.9 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.862 0.363 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.596 HG12 ' CE1' ' A' ' 39' ' ' PHE . 19.6 t -110.75 122.03 64.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -98.93 162.3 13.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.72 ' CG ' HD13 ' A' ' 50' ' ' LEU . 85.1 m-85 -151.53 124.61 8.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -106.4 112.6 25.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.552 ' HB ' HG21 ' A' ' 45' ' ' THR . 8.2 pt -135.08 174.84 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.593 ' HG2' ' CE1' ' A' ' 24' ' ' HIS . 8.1 mtpp -86.35 170.95 11.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -69.94 -33.94 72.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.462 ' C ' ' ND1' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -92.06 -2.75 56.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.552 HG21 ' HB ' ' A' ' 41' ' ' ILE . 19.3 m -75.79 118.87 74.18 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.548 0.69 . . . . 0.0 111.166 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 48' ' ' SER . 54.0 Cg_endo -69.7 122.5 9.2 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.67 2.247 . . . . 0.0 112.361 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.609 HD22 HD23 ' A' ' 50' ' ' LEU . 48.7 mt -41.69 -24.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' PRO . 6.7 p -34.98 -56.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -63.88 -37.71 88.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.72 HD13 ' CG ' ' A' ' 39' ' ' PHE . 1.5 tp -60.93 -59.9 4.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.543 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 5.9 mtt -49.11 -50.49 36.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -51.53 -52.89 43.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.86 -23.76 63.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.619 ' CE2' HG11 ' A' ' 29' ' ' VAL . 47.1 t80 -79.85 -35.07 38.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.583 ' SG ' HD11 ' A' ' 65' ' ' ILE . 59.9 m -76.94 -37.45 55.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 15.6 pt-20 -70.04 -45.32 67.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.43 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 43.7 ttt85 -44.37 -55.39 5.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -81.57 -50.77 8.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.63 35.61 0.9 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.522 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mt -111.08 179.06 4.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.849 0.356 . . . . 0.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.4 t -106.95 143.36 35.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 34.7 mmm -52.31 -36.97 54.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -67.67 -53.14 30.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -49.43 -41.29 39.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.583 HD11 ' SG ' ' A' ' 55' ' ' CYS . 8.3 pt -100.53 171.0 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -149.85 133.29 16.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.923 ' HB3' HD11 ' A' ' 74' ' ' ILE . 86.9 m-85 -92.21 162.49 14.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.0 mtt-85 -163.48 142.32 8.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.449 ' CD1' ' CE ' ' A' ' 85' ' ' MET . 76.6 t80 -125.92 116.63 21.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 62.15 28.95 17.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.27 36.39 27.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -141.47 144.42 33.69 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.616 0.722 . . . . 0.0 110.936 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 117.91 5.36 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.675 2.25 . . . . 0.0 112.315 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.923 HD11 ' HB3' ' A' ' 67' ' ' PHE . 2.7 pt -104.69 148.76 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 76' ' ' GLU . 20.1 m120 -114.8 133.68 55.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 75' ' ' ASN . 6.1 pt-20 -37.72 -42.74 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 52.1 p -54.24 -49.75 68.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.167 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -48.17 155.95 0.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.4 159.67 40.84 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.588 0.708 . . . . 0.0 111.155 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.713 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.7 Cg_endo -69.75 -7.65 21.6 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.664 2.243 . . . . 0.0 112.331 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -92.17 -27.87 17.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -74.97 -37.23 61.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.8 mt -91.47 11.11 25.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 53.2 39.84 30.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.449 ' CE ' ' CD1' ' A' ' 69' ' ' PHE . 7.2 mtt -58.28 98.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -62.69 -178.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.433 ' C ' ' HG2' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -79.48 162.15 25.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.433 ' HG2' ' C ' ' A' ' 87' ' ' ASP . 10.2 pt-20 36.29 38.22 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -72.15 -176.02 1.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 89.0 m -132.82 127.96 35.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.585 HD11 ' CD1' ' A' ' 27' ' ' LEU . 3.7 mt -98.37 156.02 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.134 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.433 ' N ' HG22 ' A' ' 91' ' ' ILE . 30.8 m-20 -112.6 121.93 46.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.508 HG22 ' HA ' ' A' ' 67' ' ' PHE . 92.4 t -144.45 150.36 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -112.82 109.43 18.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.966 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.772 0.32 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.467 HG22 ' O ' ' A' ' 86' ' ' GLU . 4.9 pt -123.85 141.48 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -99.83 110.92 23.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.778 HD22 ' CG ' ' A' ' 89' ' ' ASP . 14.7 mt -102.86 128.89 49.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -93.66 109.08 20.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.683 HG22 HD12 ' A' ' 91' ' ' ILE . 15.4 t -89.88 121.04 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.871 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.1 t . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.877 0.37 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.718 HG12 ' CE1' ' A' ' 39' ' ' PHE . 21.8 t -117.16 122.5 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.404 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 39.7 mt-30 -97.02 162.63 13.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.718 ' CE1' HG12 ' A' ' 37' ' ' VAL . 81.1 m-85 -152.04 135.3 15.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -112.9 110.0 19.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.2 pt -129.11 179.79 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -95.78 164.06 12.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -70.03 -38.13 75.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.816 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -89.57 1.34 56.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.431 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 3.0 m -91.23 130.0 41.48 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.616 0.722 . . . . 0.0 111.122 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 139.06 39.21 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.559 HD22 HD23 ' A' ' 50' ' ' LEU . 61.6 mt -55.74 -16.59 4.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 p -37.9 -58.29 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -57.85 -44.72 86.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.67 HD13 ' CG ' ' A' ' 39' ' ' PHE . 1.2 tp -56.07 -63.05 1.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.547 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 5.3 mtt -45.41 -66.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.49 ' HG2' ' CE ' ' A' ' 62' ' ' MET . 15.8 mtmm -40.91 -54.55 2.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.13 -36.64 61.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.493 ' CE2' HG11 ' A' ' 93' ' ' VAL . 82.6 t80 -68.68 -36.14 78.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 59' ' ' GLY . 5.9 m -70.63 -50.67 34.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.67 -41.68 86.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 48.8 ttm-85 -55.42 -43.67 75.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.456 ' HG3' ' NE2' ' A' ' 95' ' ' GLN . 53.9 mm-40 -101.52 5.32 41.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 57.51 32.98 65.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.49 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.7 mt -97.57 -175.45 3.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.789 0.328 . . . . 0.0 110.953 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 t -113.19 135.03 54.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.49 ' CE ' ' HG2' ' A' ' 52' ' ' LYS . 2.2 ttt -50.01 -44.13 51.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -68.39 -49.66 58.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -47.09 -39.12 12.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.7 pt -102.75 167.41 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -144.74 127.26 16.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.827 ' HB3' HD11 ' A' ' 74' ' ' ILE . 83.4 m-85 -88.28 157.72 18.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 31.6 mtt85 -160.36 147.61 16.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.831 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.603 ' CD1' ' HE2' ' A' ' 85' ' ' MET . 92.0 t80 -139.2 112.04 7.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.3 t0 72.56 24.99 2.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.842 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.37 35.57 32.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.462 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -138.86 142.03 32.39 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 120.06 6.9 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.683 2.255 . . . . 0.0 112.291 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.827 HD11 ' HB3' ' A' ' 67' ' ' PHE . 10.9 pt -108.95 145.97 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -113.94 156.98 23.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -59.57 -32.44 70.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 76.9 p -65.87 -40.19 91.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.148 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -60.44 157.5 13.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.56 160.64 29.73 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.633 0.73 . . . . 0.0 111.081 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.446 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.8 Cg_endo -69.82 -24.93 28.83 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.646 2.23 . . . . 0.0 112.354 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.29 -22.15 55.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.056 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -75.92 -34.32 59.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.7 mt -86.2 11.02 12.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 61.01 41.03 14.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.603 ' HE2' ' CD1' ' A' ' 69' ' ' PHE . 8.2 mtt -76.26 116.92 17.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.467 ' O ' HG22 ' A' ' 25' ' ' ILE . 21.9 mt-10 -87.34 -74.23 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -175.72 165.73 3.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 42.83 29.63 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.778 ' CG ' HD22 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -70.09 -174.6 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 44.2 m -128.46 124.35 35.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.683 HD12 HG22 ' A' ' 29' ' ' VAL . 11.8 mt -98.11 144.2 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -105.71 123.65 48.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.493 HG11 ' CE2' ' A' ' 54' ' ' TYR . 97.0 t -145.37 143.87 21.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -105.23 111.3 24.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.456 ' NE2' ' HG3' ' A' ' 58' ' ' GLN . 15.6 mt-30 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.434 ' NE2' ' HG2' ' A' ' 42' ' ' LYS . 16.6 m80 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.772 0.32 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.722 HG22 ' O ' ' A' ' 86' ' ' GLU . 21.5 pt -134.41 144.4 35.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -110.79 114.31 27.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.713 ' CD1' HD11 ' A' ' 91' ' ' ILE . 2.6 mt -106.22 129.4 54.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -92.62 107.18 19.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.602 HG22 ' HB ' ' A' ' 91' ' ' ILE . 24.4 t -90.6 117.24 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.165 179.831 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 37.6 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.845 0.355 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.439 HG12 ' CE1' ' A' ' 39' ' ' PHE . 11.7 t -121.39 122.01 66.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.157 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.427 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 37.2 mt-30 -95.44 162.65 13.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.669 ' CG ' HD13 ' A' ' 50' ' ' LEU . 70.5 m-85 -152.32 130.02 11.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.7 tttp -103.14 117.06 33.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.4 pt -139.87 -178.76 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.152 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.434 ' HG2' ' NE2' ' A' ' 24' ' ' HIS . 33.9 mtpt -99.69 169.6 9.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.9 ptt85 -73.87 -40.44 63.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -94.06 36.14 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.811 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.568 ' C ' HG22 ' A' ' 79' ' ' THR . 4.6 m -122.08 133.16 24.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.612 0.72 . . . . 0.0 111.113 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 125.09 11.74 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.725 2.283 . . . . 0.0 112.33 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.581 HD22 HD23 ' A' ' 50' ' ' LEU . 42.9 mt -48.86 -18.87 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 47' ' ' LEU . 55.5 p -33.57 -57.51 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -60.11 -51.45 69.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.67 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.8 OUTLIER -49.2 -53.92 19.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.56 ' HG2' ' CE1' ' A' ' 67' ' ' PHE . 16.0 mtt -49.53 -53.48 23.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.4 mtmm -51.74 -53.24 41.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.64 -23.85 4.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.523 ' CE2' ' CG1' ' A' ' 29' ' ' VAL . 48.4 t80 -83.17 -30.33 27.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 11.4 p -81.05 -35.46 31.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 5.9 pt-20 -70.64 -43.4 69.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.424 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 59.2 ttt-85 -47.67 -53.19 15.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -86.3 -32.03 21.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.61 31.25 6.82 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.518 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mt -103.6 178.23 4.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.9 m -97.77 150.88 20.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 39.8 mtp -64.52 -56.12 16.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -15.16 10.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -80.47 -43.28 21.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 48.7 pt -100.73 153.7 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.432 ' NH2' ' HB3' ' A' ' 73' ' ' PRO . 5.7 tpt180 -118.31 147.37 43.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.562 ' HB3' HD11 ' A' ' 74' ' ' ILE . 97.1 m-85 -109.13 141.72 40.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -144.28 155.56 43.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -150.7 137.69 19.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 42.87 28.57 0.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 73.28 36.89 55.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -138.97 145.09 43.94 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.432 ' HB3' ' NH2' ' A' ' 66' ' ' ARG . 53.9 Cg_endo -69.69 112.47 3.07 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.703 2.269 . . . . 0.0 112.363 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.562 HD11 ' HB3' ' A' ' 67' ' ' PHE . 10.0 pt -102.72 142.98 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -114.29 157.77 22.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -60.6 -41.09 94.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 23.9 p -63.13 -29.92 71.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.77 166.45 10.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.568 HG22 ' C ' ' A' ' 45' ' ' THR . 1.2 p -123.72 159.12 57.22 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.579 0.704 . . . . 0.0 111.148 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.492 ' HB2' ' CD1' ' A' ' 25' ' ' ILE . 54.2 Cg_endo -69.71 -17.26 37.9 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.735 2.29 . . . . 0.0 112.384 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.26 -24.01 32.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.097 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -76.47 -30.1 57.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.977 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.8 mt -86.59 4.22 41.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 65.26 49.32 1.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 24.8 mtt -84.42 143.17 29.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.722 ' O ' HG22 ' A' ' 25' ' ' ILE . 20.4 mm-40 -109.07 -75.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 89' ' ' ASP . 0.7 OUTLIER -172.58 170.32 4.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 39.61 25.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 87' ' ' ASP . 42.3 m-20 -63.7 -174.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 73.0 m -142.26 122.95 14.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.713 HD11 ' CD1' ' A' ' 27' ' ' LEU . 3.9 mt -98.72 150.77 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -109.63 120.69 43.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.42 HG11 ' CE1' ' A' ' 54' ' ' TYR . 75.0 t -134.11 147.9 30.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -109.22 109.24 20.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 43.4 m80 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.799 0.333 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.443 HG22 ' O ' ' A' ' 86' ' ' GLU . 13.2 pt -140.9 137.62 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.168 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -103.6 111.66 24.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.812 HD22 ' HB2' ' A' ' 89' ' ' ASP . 6.2 mt -105.0 129.66 53.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -91.42 110.74 22.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.716 HG22 ' HB ' ' A' ' 91' ' ' ILE . 10.9 t -91.45 129.09 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.874 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.618 HG12 ' OE1' ' A' ' 38' ' ' GLN . 95.1 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.904 0.383 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.556 HG12 ' CE1' ' A' ' 39' ' ' PHE . 20.2 t -118.33 124.57 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.618 ' OE1' HG12 ' A' ' 36' ' ' VAL . 1.6 mp0 -96.37 163.09 13.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.718 ' CG ' HD13 ' A' ' 50' ' ' LEU . 91.1 m-85 -152.85 133.73 13.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -109.82 113.55 26.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.406 HD11 ' HG3' ' A' ' 80' ' ' PRO . 18.4 pt -134.72 -178.57 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.131 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -99.65 155.13 17.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.32 -27.96 69.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.441 ' CG ' ' O ' ' A' ' 44' ' ' HIS . 6.0 p80 -105.62 40.71 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.831 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.568 ' C ' HG22 ' A' ' 79' ' ' THR . 15.1 m -129.1 133.5 25.26 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.633 0.73 . . . . 0.0 111.087 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 48' ' ' SER . 53.7 Cg_endo -69.75 121.75 8.44 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.656 HD22 HD23 ' A' ' 50' ' ' LEU . 76.1 mt -42.95 -23.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 47' ' ' LEU . 7.4 t -34.0 -53.31 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -44.35 96.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.718 HD13 ' CG ' ' A' ' 39' ' ' PHE . 1.5 tp -58.15 -57.21 13.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.541 ' HG2' ' CE1' ' A' ' 67' ' ' PHE . 4.4 mtt -49.47 -66.81 0.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 51' ' ' MET . 24.5 mtpt -34.91 -55.95 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.28 -40.73 64.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.487 ' N ' ' O ' ' A' ' 51' ' ' MET . 53.6 t80 -58.18 -31.68 67.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 59' ' ' GLY . 74.6 m -76.25 -56.55 4.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.435 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 8.2 pt-20 -55.32 -44.37 75.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.435 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 33.5 ttm-85 -44.84 -49.56 10.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 70.6 mm-40 -98.63 -8.03 27.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 76.9 26.66 61.98 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.507 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.5 mt -96.18 -177.15 3.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.794 0.33 . . . . 0.0 110.937 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 t -102.13 175.09 5.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.4 ttt -93.93 -50.72 5.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.92 -6.95 9.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -92.16 -35.25 13.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.8 pt -105.69 165.2 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -140.11 145.29 37.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.809 ' HB3' HD11 ' A' ' 74' ' ' ILE . 87.8 m-85 -106.14 157.66 17.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -163.07 147.81 11.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.509 ' CE1' ' HB3' ' A' ' 89' ' ' ASP . 28.5 t80 -135.96 112.71 10.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.4 t70 70.58 25.15 4.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.8 34.29 28.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.524 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -135.88 138.23 27.33 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.579 0.704 . . . . 0.0 110.895 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 116.78 4.72 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.698 2.266 . . . . 0.0 112.294 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.809 HD11 ' HB3' ' A' ' 67' ' ' PHE . 10.0 pt -106.09 146.45 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -110.77 161.16 16.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -64.65 -39.23 93.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 75.5 p -64.68 -18.45 64.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.166 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.7 163.92 25.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.568 HG22 ' C ' ' A' ' 45' ' ' THR . 0.9 OUTLIER -120.52 160.77 42.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.579 0.704 . . . . 0.0 111.122 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.412 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.7 Cg_endo -69.72 -20.4 35.05 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.37 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.45 -27.04 46.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -74.12 -30.16 62.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.493 HD21 HG22 ' A' ' 74' ' ' ILE . 12.3 mt -87.61 10.66 17.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 60.58 48.43 7.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.489 ' HG2' ' CE2' ' A' ' 69' ' ' PHE . 8.9 mtt -91.26 138.6 31.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.557 ' CD ' ' N ' ' A' ' 86' ' ' GLU . 1.7 pm0 -119.27 -58.17 1.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -176.16 170.38 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 43.45 25.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.812 ' HB2' HD22 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -73.17 125.13 27.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.8 m -85.26 128.39 34.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.716 ' HB ' HG22 ' A' ' 29' ' ' VAL . 5.4 mt -100.57 145.38 11.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -107.53 121.2 44.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 99.5 t -139.64 147.08 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -111.35 109.89 20.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.929 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.587 ' CE1' ' HG2' ' A' ' 42' ' ' LYS . 63.6 m-70 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.793 0.33 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.739 HD11 ' HB2' ' A' ' 80' ' ' PRO . 33.6 pt -133.34 132.04 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.489 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -88.21 126.21 35.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.648 ' CD1' HD11 ' A' ' 91' ' ' ILE . 10.5 mt -116.19 121.72 42.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -91.0 107.28 19.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.839 HG22 ' HB ' ' A' ' 91' ' ' ILE . 21.4 t -89.97 116.22 30.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 179.871 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 49.1 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.877 0.37 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.453 HG12 ' CE1' ' A' ' 39' ' ' PHE . 10.3 t -136.81 125.9 36.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -96.77 158.03 15.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.643 ' CG ' HD13 ' A' ' 50' ' ' LEU . 91.5 m-85 -149.45 122.14 8.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -101.51 115.71 31.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.481 HD11 ' HG3' ' A' ' 80' ' ' PRO . 14.1 pt -140.4 179.48 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.587 ' HG2' ' CE1' ' A' ' 24' ' ' HIS . 49.4 mttt -89.74 158.02 17.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.589 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -70.74 -21.39 62.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -108.82 36.83 2.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.638 ' C ' HG22 ' A' ' 79' ' ' THR . 43.8 m -125.13 135.02 26.28 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.595 0.712 . . . . 0.0 111.126 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.502 ' HD2' HG23 ' A' ' 45' ' ' THR . 53.7 Cg_endo -69.74 126.23 13.09 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.25 . . . . 0.0 112.369 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.667 HD22 HD23 ' A' ' 50' ' ' LEU . 32.7 mt -49.76 -20.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 47' ' ' LEU . 21.7 t -34.5 -45.98 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.93 -43.55 62.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.886 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.667 HD23 HD22 ' A' ' 47' ' ' LEU . 1.4 tp -56.1 -53.44 57.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.473 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 3.0 mtt -59.9 -58.98 6.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.419 ' N ' ' HE1' ' A' ' 62' ' ' MET . 20.5 mttt -39.61 -48.42 2.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.83 84.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.626 ' CE2' HG11 ' A' ' 93' ' ' VAL . 62.0 t80 -60.95 -32.11 71.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' GLY . 99.7 m -73.06 -54.05 9.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 4.4 pt-20 -57.23 -43.56 82.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.43 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 39.5 ttt180 -48.49 -44.08 35.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -104.87 2.1 29.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 59.83 37.5 92.6 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.531 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.3 mt -101.14 -176.31 3.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.5 m -108.47 132.28 53.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.466 ' CE ' ' HB2' ' A' ' 51' ' ' MET . 0.3 OUTLIER -49.56 -37.16 26.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.414 ' O ' ' NH1' ' A' ' 63' ' ' ARG . 13.5 tpt85 -75.63 -44.99 39.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -54.34 -30.39 51.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.9 pt -115.18 168.81 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 -143.75 162.74 35.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.698 ' HB3' HD11 ' A' ' 74' ' ' ILE . 63.0 m-85 -120.64 155.67 33.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.5 mtt180 -153.66 150.12 28.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.652 ' CD1' ' CE ' ' A' ' 85' ' ' MET . 76.5 t80 -137.69 110.44 7.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.1 t0 69.06 28.03 5.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.22 29.16 41.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.49 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -139.55 143.58 36.1 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.558 0.694 . . . . 0.0 110.926 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 122.39 9.07 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.718 2.279 . . . . 0.0 112.358 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.698 HD11 ' HB3' ' A' ' 67' ' ' PHE . 1.7 pt -101.54 144.16 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -106.35 131.54 53.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -39.97 -40.94 1.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 41.3 p -59.08 -44.72 91.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.117 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -56.0 148.03 18.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.842 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.638 HG22 ' C ' ' A' ' 45' ' ' THR . 0.7 OUTLIER -105.71 160.64 25.4 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.601 0.715 . . . . 0.0 111.124 -179.882 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.739 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.4 Cg_endo -69.75 -12.7 33.45 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.702 2.268 . . . . 0.0 112.339 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 43' ' ' ARG . . . -87.51 -27.65 22.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -71.44 -34.42 70.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.6 mt -92.65 9.24 35.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 55.57 48.62 18.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.652 ' CE ' ' CD1' ' A' ' 69' ' ' PHE . 7.8 mtt -69.89 120.65 15.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -84.94 177.3 8.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -75.5 149.35 38.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 55.51 25.54 7.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -58.97 -175.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 44.9 m -138.12 122.28 18.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.839 ' HB ' HG22 ' A' ' 29' ' ' VAL . 3.4 mt -98.23 147.54 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -105.56 121.14 43.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.626 HG11 ' CE2' ' A' ' 54' ' ' TYR . 43.2 t -136.7 156.37 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.447 ' N ' ' CG1' ' A' ' 93' ' ' VAL . 17.1 m-85 -116.62 109.77 17.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.902 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.43 ' NE2' ' HG2' ' A' ' 42' ' ' LYS . 9.5 m80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.753 0.311 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.626 HD11 ' HB2' ' A' ' 80' ' ' PRO . 36.2 pt -118.92 131.61 71.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.487 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -88.09 129.91 35.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.643 ' CD1' HD11 ' A' ' 91' ' ' ILE . 1.6 mt -124.83 126.45 45.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.649 ' O ' HG23 ' A' ' 90' ' ' THR . 15.3 mttm -90.9 113.72 25.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.662 HG22 ' HB ' ' A' ' 91' ' ' ILE . 65.2 t -92.11 116.19 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.887 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.8 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.84 0.353 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.537 HG12 ' CE1' ' A' ' 39' ' ' PHE . 11.9 t -106.52 121.95 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -95.41 159.25 15.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.723 ' CG ' HD13 ' A' ' 50' ' ' LEU . 90.5 m-85 -149.51 126.78 11.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -108.7 107.17 17.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.5 pt -127.69 -179.69 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.43 ' HG2' ' NE2' ' A' ' 24' ' ' HIS . 82.7 mttt -91.52 167.8 11.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -75.44 -39.68 58.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -87.96 9.69 21.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.473 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 2.4 m -99.79 130.75 25.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.542 0.686 . . . . 0.0 111.184 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 140.77 43.62 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.561 HD22 HD23 ' A' ' 50' ' ' LEU . 50.9 mt -56.65 -21.01 24.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 47' ' ' LEU . 91.4 p -35.67 -50.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -65.29 -40.92 94.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.723 HD13 ' CG ' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -61.37 -57.39 12.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.419 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 2.7 mtt -53.38 -47.46 69.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -56.41 -51.07 69.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.69 -18.83 61.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.092 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.46 ' CE2' HG11 ' A' ' 93' ' ' VAL . 84.4 t80 -84.93 -33.04 22.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 45.3 m -77.57 -36.85 51.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.42 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 7.1 pt-20 -72.18 -44.01 63.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.531 ' NH1' HG13 ' A' ' 37' ' ' VAL . 49.5 ttt180 -48.1 -62.05 1.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -75.64 -49.4 18.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.52 37.19 1.21 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.522 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 mt -109.49 -179.54 3.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.822 0.344 . . . . 0.0 110.921 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.5 m -105.79 142.86 34.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.6 mtt -52.15 -48.76 64.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -63.17 -44.35 95.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -53.53 -37.27 62.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.1 pt -105.9 166.85 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -141.46 137.79 32.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.763 ' HB3' HD11 ' A' ' 74' ' ' ILE . 96.8 m-85 -101.38 158.68 15.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -160.04 153.14 21.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.486 ' CD1' ' CE ' ' A' ' 85' ' ' MET . 77.0 t80 -140.13 112.35 7.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.9 t0 68.55 24.98 6.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.11 33.92 22.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -140.97 143.33 31.1 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.611 0.72 . . . . 0.0 110.9 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 116.39 4.54 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.361 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.763 HD11 ' HB3' ' A' ' 67' ' ' PHE . 3.1 pt -101.43 150.48 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -116.02 154.21 30.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -60.19 -34.13 73.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 77.3 p -64.28 -33.95 76.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.186 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -66.82 156.99 34.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.04 158.85 35.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.534 0.683 . . . . 0.0 111.158 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.626 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.5 Cg_endo -69.82 -15.22 36.77 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.86 -22.37 27.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.072 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -72.92 -35.36 67.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.5 mt -96.65 17.63 16.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 48.1 48.45 18.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.486 ' CE ' ' CD1' ' A' ' 69' ' ' PHE . 7.5 mtt -66.61 98.56 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -62.51 172.17 1.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -75.68 143.51 42.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 62.99 26.81 15.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -66.94 -174.91 0.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.649 HG23 ' O ' ' A' ' 28' ' ' LYS . 93.2 m -138.87 128.38 24.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.662 ' HB ' HG22 ' A' ' 29' ' ' VAL . 11.1 mt -98.3 156.63 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.436 ' N ' HG22 ' A' ' 91' ' ' ILE . 76.9 m-20 -112.41 125.51 54.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.537 HG12 ' N ' ' A' ' 94' ' ' PHE . 89.6 t -145.42 159.29 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.537 ' N ' HG12 ' A' ' 93' ' ' VAL . 5.7 m-85 -121.7 114.47 21.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.934 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.773 0.321 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.719 HG22 ' O ' ' A' ' 86' ' ' GLU . 5.9 pt -124.91 152.97 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -117.2 108.88 16.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.632 ' CD1' HD11 ' A' ' 91' ' ' ILE . 2.9 mt -103.16 128.04 50.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -91.71 112.95 25.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.741 HG22 ' HB ' ' A' ' 91' ' ' ILE . 61.3 t -90.46 129.03 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.112 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.855 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.7 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.891 0.377 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.64 HG12 ' CE1' ' A' ' 39' ' ' PHE . 21.7 t -113.42 122.66 67.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.114 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -98.36 163.04 12.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.795 ' CG ' HD13 ' A' ' 50' ' ' LEU . 96.5 m-85 -153.2 138.14 17.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -113.35 106.83 15.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.5 pt -129.81 178.74 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -94.5 166.89 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.563 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 52.9 mtm180 -71.0 -40.77 71.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -86.28 -4.9 59.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.443 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 3.4 m -83.87 127.94 65.21 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.704 . . . . 0.0 111.155 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 140.17 41.91 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.64 HD22 HD23 ' A' ' 50' ' ' LEU . 59.0 mt -58.09 -15.1 8.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 47' ' ' LEU . 68.6 p -35.75 -59.24 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -58.82 -47.26 85.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.795 HD13 ' CG ' ' A' ' 39' ' ' PHE . 1.2 tp -51.08 -57.26 9.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.466 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 2.7 mtt -52.31 -48.92 65.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -56.0 -53.3 58.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.7 -23.65 59.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.08 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.542 ' CE2' HG11 ' A' ' 93' ' ' VAL . 82.8 t80 -81.28 -38.81 26.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.4 ' SG ' ' N ' ' A' ' 56' ' ' GLU . 3.0 p -76.21 -40.16 52.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.4 ' N ' ' SG ' ' A' ' 55' ' ' CYS . 4.9 pt-20 -70.69 -41.65 71.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -50.28 -53.97 24.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -80.59 -47.52 14.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.35 27.09 2.73 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.0 mt -100.89 -179.77 4.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.0 m -108.91 155.05 21.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.3 mtt -74.03 -28.29 61.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -80.73 -3.41 50.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -103.25 -37.14 7.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 27.0 pt -100.22 173.12 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 -147.62 136.05 21.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.783 ' HB3' HD11 ' A' ' 74' ' ' ILE . 92.5 m-85 -99.59 152.43 20.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -159.75 147.63 17.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.595 ' CE1' ' HE2' ' A' ' 85' ' ' MET . 29.9 t80 -137.21 116.12 12.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.9 t70 64.24 28.98 13.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.846 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.49 37.6 46.48 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.519 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -136.27 139.91 31.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.602 0.715 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 114.97 3.88 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.746 2.297 . . . . 0.0 112.31 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.783 HD11 ' HB3' ' A' ' 67' ' ' PHE . 15.3 pt -106.66 153.54 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -127.64 155.06 44.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.413 ' HB2' ' CB ' ' A' ' 48' ' ' SER . 6.6 pt-20 -54.97 -33.04 62.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 61.1 p -68.38 -33.05 73.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -63.66 172.57 2.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.5 p -128.27 158.84 70.05 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.551 0.691 . . . . 0.0 111.134 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.492 ' HB2' ' CD1' ' A' ' 25' ' ' ILE . 54.3 Cg_endo -69.72 -28.5 25.35 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.675 2.25 . . . . 0.0 112.353 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.563 ' HB2' ' HB3' ' A' ' 43' ' ' ARG . . . -74.69 -20.93 59.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.057 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -77.13 -33.47 56.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.556 HD21 HG22 ' A' ' 74' ' ' ILE . 5.8 mt -85.07 9.59 14.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 65.91 44.33 2.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.595 ' HE2' ' CE1' ' A' ' 69' ' ' PHE . 16.3 mtt -86.66 137.53 32.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.719 ' O ' HG22 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -116.49 -62.89 1.52 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 89' ' ' ASP . 30.7 t70 -175.47 170.69 2.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 39.32 25.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 87' ' ' ASP . 24.0 m-20 -62.06 -175.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.7 m -138.68 126.56 22.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.741 ' HB ' HG22 ' A' ' 29' ' ' VAL . 6.0 mt -106.06 146.37 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -107.92 121.01 43.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.542 HG11 ' CE2' ' A' ' 54' ' ' TYR . 61.9 t -140.85 141.55 31.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -106.66 109.77 21.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.929 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 23.8 m80 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.759 0.314 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.652 HD11 ' HB2' ' A' ' 80' ' ' PRO . 23.6 pt -128.68 136.53 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -100.08 117.97 35.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.7 ' CD1' HD11 ' A' ' 91' ' ' ILE . 2.7 mt -110.48 124.52 51.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -91.04 110.82 22.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.799 HG22 ' HB ' ' A' ' 91' ' ' ILE . 21.5 t -90.17 134.76 28.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.877 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 77.0 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.853 0.359 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.7 t -109.2 122.11 63.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -101.04 156.91 17.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.627 ' CB ' HD13 ' A' ' 50' ' ' LEU . 92.1 m-85 -146.98 131.46 17.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -108.37 108.16 19.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.3 pt -130.15 -179.13 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -96.0 171.1 8.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -75.53 -40.39 57.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -85.66 -2.27 58.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.751 HG23 ' HE3' ' A' ' 49' ' ' LYS . 17.5 m -85.31 126.76 66.24 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.554 0.692 . . . . 0.0 111.166 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 132.49 23.5 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.682 2.255 . . . . 0.0 112.369 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.63 HD22 HD23 ' A' ' 50' ' ' LEU . 85.9 mt -44.13 -23.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' LEU . 9.5 t -34.56 -54.97 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.751 ' HE3' HG23 ' A' ' 45' ' ' THR . 13.1 mtmm -61.51 -43.5 98.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.914 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.63 HD23 HD22 ' A' ' 47' ' ' LEU . 2.6 tp -57.24 -54.6 44.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.411 ' HB2' ' CE ' ' A' ' 62' ' ' MET . 1.8 mtt -58.25 -51.95 67.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.2 mtpp -52.45 -34.65 49.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.29 -23.49 59.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.08 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.439 ' OH ' ' NE2' ' A' ' 95' ' ' GLN . 1.6 t80 -78.27 -48.43 15.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 9.9 p -60.45 -40.04 89.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.511 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 4.7 pt-20 -68.21 -48.74 64.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.511 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 10.9 ttm-85 -42.21 -48.75 4.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -93.03 -18.68 22.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.78 21.7 49.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.471 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.2 mt -96.39 -176.49 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.815 0.341 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.7 t -103.2 139.9 38.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.411 ' CE ' ' HB2' ' A' ' 51' ' ' MET . 35.8 mmm -51.06 -51.17 55.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -61.95 -35.92 79.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -56.78 -42.19 78.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.602 HG22 ' CB ' ' A' ' 95' ' ' GLN . 46.7 pt -100.71 152.02 5.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.455 ' HD3' ' N ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -112.14 155.02 24.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.611 ' HA ' HG22 ' A' ' 93' ' ' VAL . 51.8 m-85 -125.75 151.05 47.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 92' ' ' ASP . 27.6 mtt180 -152.14 158.94 43.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.453 ' CD2' ' HE3' ' A' ' 85' ' ' MET . 25.0 t80 -148.36 108.62 4.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.0 t70 68.3 27.89 6.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.46 33.49 31.36 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 69' ' ' PHE . 1.8 pt20 -142.24 144.0 29.67 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 0.0 110.954 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 122.75 9.42 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.74 2.293 . . . . 0.0 112.302 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.452 HD11 ' HB3' ' A' ' 67' ' ' PHE . 1.9 pt -105.75 152.6 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -122.22 161.03 24.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -64.44 -29.29 70.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 58.5 p -68.85 -44.29 73.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.55 146.43 25.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.04 157.76 33.54 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.59 0.71 . . . . 0.0 111.138 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.652 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.4 Cg_endo -69.81 -10.72 29.2 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.24 . . . . 0.0 112.336 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -90.73 -25.07 20.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -71.39 -34.63 70.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.4 mt -93.3 7.51 44.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 59.83 43.55 14.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.453 ' HE3' ' CD2' ' A' ' 69' ' ' PHE . 7.3 mtp -67.96 106.41 2.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 10.5 pt-20 -90.4 165.35 13.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -59.08 148.33 31.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 65.41 37.21 6.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 86' ' ' GLU . 27.8 m-20 -80.74 -176.17 5.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 88.7 m -144.51 120.28 10.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.799 ' HB ' HG22 ' A' ' 29' ' ' VAL . 2.8 mt -99.65 148.03 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 68' ' ' ARG . 0.9 OUTLIER -105.51 120.73 42.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.611 HG22 ' HA ' ' A' ' 67' ' ' PHE . 14.4 t -142.41 155.01 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.459 ' N ' ' CG1' ' A' ' 93' ' ' VAL . 1.5 m-85 -139.79 109.41 6.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.602 ' CB ' HG22 ' A' ' 65' ' ' ILE . 7.6 pm0 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.788 0.328 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.441 HD11 ' HB2' ' A' ' 80' ' ' PRO . 13.1 pt -113.57 154.97 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.584 ' C ' HD23 ' A' ' 27' ' ' LEU . 15.5 m-20 -116.48 131.95 56.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.911 ' CD1' HD11 ' A' ' 91' ' ' ILE . 2.2 mt -119.8 130.86 55.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -94.64 116.36 28.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.443 HG22 ' HB ' ' A' ' 91' ' ' ILE . 19.9 t -94.96 123.5 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.121 179.843 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.527 HG12 ' OE1' ' A' ' 38' ' ' GLN . 55.9 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.858 0.361 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.472 HG12 ' CE1' ' A' ' 39' ' ' PHE . 5.4 t -115.58 124.04 71.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.527 ' OE1' HG12 ' A' ' 36' ' ' VAL . 0.9 OUTLIER -97.24 164.34 12.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.712 ' CB ' HD13 ' A' ' 50' ' ' LEU . 70.5 m-85 -154.25 136.59 14.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.426 ' C ' ' HD2' ' A' ' 40' ' ' LYS . 0.5 OUTLIER -117.99 133.91 55.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.9 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.6 pt -147.74 -178.74 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -93.44 153.84 18.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.7 mtp85 -61.27 -31.36 71.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -96.66 4.78 51.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.9 m -95.7 129.91 33.22 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.599 0.714 . . . . 0.0 111.117 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 151.02 68.83 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.724 2.283 . . . . 0.0 112.324 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.761 HD22 HD23 ' A' ' 50' ' ' LEU . 44.6 mt -68.53 -11.68 60.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 p -41.72 -41.1 2.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.819 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -77.5 -47.99 18.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.761 HD23 HD22 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -50.35 -51.41 45.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.493 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 16.9 mtt -56.47 -53.4 57.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -52.19 -50.39 61.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.9 -22.49 59.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.124 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.648 ' CE2' HG11 ' A' ' 93' ' ' VAL . 77.7 t80 -87.44 -22.77 24.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.6 p -87.16 -34.1 19.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 5.8 pt-20 -70.99 -45.68 63.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.457 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 9.9 ttt-85 -46.28 -51.14 15.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.42 ' HG3' ' NE2' ' A' ' 95' ' ' GLN . 57.4 mm-40 -86.73 -30.0 21.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.85 32.94 7.66 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -102.05 175.13 5.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.844 0.354 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 m -94.98 136.85 34.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.433 ' CE ' ' HB2' ' A' ' 51' ' ' MET . 2.7 ttt -50.65 -49.21 57.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.5 ptp85 -65.68 -20.89 66.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -74.69 -37.38 62.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.2 pt -101.35 155.25 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.8 tpp180 -126.5 144.83 50.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.688 ' HB3' HD11 ' A' ' 74' ' ' ILE . 16.2 m-85 -114.66 142.57 46.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.413 ' HE ' ' CB ' ' A' ' 92' ' ' ASP . 25.8 ptt180 -151.27 143.77 24.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.545 ' CE1' ' CG ' ' A' ' 70' ' ' ASP . 6.9 t80 -131.09 131.05 43.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.545 ' CG ' ' CE1' ' A' ' 69' ' ' PHE . 5.0 m-20 63.58 29.89 15.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.14 27.61 59.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -138.57 142.83 35.82 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 110.875 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 111.83 2.91 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.683 2.256 . . . . 0.0 112.342 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.688 HD11 ' HB3' ' A' ' 67' ' ' PHE . 2.3 pt -93.11 146.12 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -105.87 157.25 17.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -60.59 -37.18 80.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 77.6 p -62.6 -42.82 99.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.166 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -55.16 147.09 17.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.94 160.8 24.88 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.574 0.702 . . . . 0.0 111.157 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.441 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.9 Cg_endo -69.74 -23.93 30.33 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.82 -25.27 48.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -71.7 -37.13 70.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 mt -96.49 26.05 4.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 40.16 49.76 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.4 mtt -66.6 119.56 11.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -88.66 177.31 6.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -78.52 150.35 32.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 57.35 29.79 17.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.444 ' HB3' HD22 ' A' ' 27' ' ' LEU . 5.0 t70 -66.16 -175.97 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.0 m -140.51 120.5 13.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.911 HD11 ' CD1' ' A' ' 27' ' ' LEU . 3.2 mt -100.49 146.1 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.413 ' CB ' ' HE ' ' A' ' 68' ' ' ARG . 5.5 m-20 -105.73 123.64 48.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.648 HG11 ' CE2' ' A' ' 54' ' ' TYR . 74.1 t -139.44 146.59 25.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 94' ' ' PHE . 4.1 m-85 -105.11 113.95 27.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.42 ' NE2' ' HG3' ' A' ' 58' ' ' GLN . 25.0 mt-30 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 p 40.32 41.88 1.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 m -89.26 172.21 9.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.814 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.04 159.63 15.18 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.438 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.4 p -170.29 172.69 6.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 0.0 110.865 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -160.83 149.58 16.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.94 -83.94 0.26 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.5 tpp 61.89 38.04 14.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.755 0.312 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.91 76.63 0.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.066 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -159.16 108.83 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -102.17 34.78 2.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.435 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 2.9 mmmm 61.12 54.35 3.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.583 0.706 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 53.9 Cg_endo -69.75 90.57 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -159.07 164.62 35.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.5 mp0 -134.13 176.13 8.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -139.43 171.94 23.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.493 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.0 p -140.0 142.62 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.95 0.405 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -134.93 173.86 11.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.6 m -112.55 151.93 29.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.147 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -81.57 99.42 8.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -166.66 139.89 3.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -83.63 42.88 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -113.3 33.86 4.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.0 m80 -136.48 161.99 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 32.1 pt -116.79 145.74 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -112.81 132.19 55.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.649 HD12 HD11 ' A' ' 91' ' ' ILE . 2.2 mt -119.51 132.6 55.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.625 ' O ' HG23 ' A' ' 90' ' ' THR . 18.9 mtmt -91.04 112.96 25.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.66 HG22 ' HB ' ' A' ' 91' ' ' ILE . 54.7 t -90.99 128.71 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.115 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.68 135.54 48.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.095 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -162.75 -52.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.47 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -65.89 170.46 5.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.812 0.339 . . . . 0.0 110.94 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -84.08 27.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.35 33.26 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.471 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 t -142.78 126.65 17.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.935 0.397 . . . . 0.0 110.812 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.9 t -114.37 131.43 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.089 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.2 t -108.1 122.47 62.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -90.59 161.54 15.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.609 ' CG ' HD13 ' A' ' 50' ' ' LEU . 95.8 m-85 -151.64 125.34 9.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -104.99 111.95 24.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.0 pt -133.71 179.59 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -94.57 158.44 15.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.638 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 7.8 ptp180 -72.57 -18.26 61.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.24 35.62 3.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.613 HG23 ' HD2' ' A' ' 46' ' ' PRO . 51.7 m -128.06 137.17 30.25 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.595 0.712 . . . . 0.0 111.108 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.613 ' HD2' HG23 ' A' ' 45' ' ' THR . 53.5 Cg_endo -69.74 128.91 16.72 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.604 HD22 HD23 ' A' ' 50' ' ' LEU . 62.4 mt -48.29 -19.44 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 47' ' ' LEU . 88.2 p -34.68 -58.5 0.5 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -48.27 81.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.609 HD13 ' CG ' ' A' ' 39' ' ' PHE . 1.3 tp -53.35 -58.94 5.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.964 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.431 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 4.0 mtt -52.0 -59.73 4.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -41.35 -50.1 3.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.87 -36.47 79.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.023 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.556 ' CE2' HG11 ' A' ' 93' ' ' VAL . 86.1 t80 -61.73 -29.4 70.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 59' ' ' GLY . 85.5 m -77.51 -60.07 2.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 57' ' ' ARG . 7.4 pt-20 -47.42 -41.31 19.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.454 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 47.3 ttt85 -53.28 -50.15 65.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.476 ' HG3' ' NE2' ' A' ' 95' ' ' GLN . 79.1 mm-40 -95.77 -0.38 51.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 63.7 31.51 81.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.2 mt -100.86 -175.85 3.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.8 t -115.48 138.65 50.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.6 ttm -48.64 -42.34 34.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.9 mtm105 -64.36 -55.17 22.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -46.33 -43.62 16.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.9 pt -99.47 172.8 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -145.62 146.65 31.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.929 ' HB3' HD11 ' A' ' 74' ' ' ILE . 96.1 m-85 -108.94 158.46 17.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -160.67 155.21 23.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.494 ' CD1' ' HE3' ' A' ' 85' ' ' MET . 88.3 t80 -140.84 111.09 6.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.3 t70 68.94 25.53 6.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.89 34.93 26.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -140.8 145.44 39.87 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.583 0.706 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 118.83 5.91 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.929 HD11 ' HB3' ' A' ' 67' ' ' PHE . 3.2 pt -104.71 145.8 12.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.199 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -113.18 133.77 54.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -41.37 -35.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 68.1 p -60.43 -44.31 95.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.31 157.12 6.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.507 HG22 ' C ' ' A' ' 45' ' ' THR . 0.8 OUTLIER -113.75 159.92 33.95 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.582 0.706 . . . . 0.0 111.162 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.44 ' CD ' ' O ' ' A' ' 45' ' ' THR . 53.9 Cg_endo -69.7 -14.1 35.77 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.387 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 43' ' ' ARG . . . -86.14 -27.68 24.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.054 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -71.87 -37.17 70.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 21.3 mt -87.75 3.91 46.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 62.5 39.18 11.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.494 ' HE3' ' CD1' ' A' ' 69' ' ' PHE . 7.6 mtt -62.24 107.27 0.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.7 mp0 -77.61 179.42 6.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -79.48 145.11 33.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.84 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 62.51 40.29 10.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -85.59 -175.63 5.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.625 HG23 ' O ' ' A' ' 28' ' ' LYS . 25.6 m -138.31 133.46 33.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.152 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.66 ' HB ' HG22 ' A' ' 29' ' ' VAL . 17.0 mt -98.24 157.97 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.48 ' N ' HG22 ' A' ' 91' ' ' ILE . 1.0 OUTLIER -110.23 120.78 43.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.556 HG11 ' CE2' ' A' ' 54' ' ' TYR . 60.8 t -145.69 153.78 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.431 ' N ' HG12 ' A' ' 93' ' ' VAL . 6.8 m-85 -118.25 110.21 17.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.476 ' NE2' ' HG3' ' A' ' 58' ' ' GLN . 15.0 mt-30 -93.69 104.25 16.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -87.24 145.37 26.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -85.93 99.48 11.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 25.3 p -132.22 89.53 2.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.7 p -60.38 154.46 20.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -115.74 146.24 18.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.45 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -41.5 4.24 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.658 2.239 . . . . 0.0 112.342 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.9 t -89.11 154.21 20.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.6 p -118.12 154.47 32.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.465 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.4 p -175.01 160.51 2.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 110.838 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.9 m -155.45 165.94 35.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.32 -170.57 17.7 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t -138.92 165.48 26.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.2 m -133.48 165.11 25.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.84 140.04 6.08 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.0 mmt -137.66 137.08 38.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.35 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.97 152.94 49.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.07 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -109.78 101.15 10.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -131.78 46.08 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.481 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 14.5 tppt? 54.98 52.09 7.99 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.562 0.696 . . . . 0.0 110.856 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 53.6 Cg_endo -69.81 0.06 6.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.669 2.246 . . . . 0.0 112.352 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -73.23 -47.76 40.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.859 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -54.17 -69.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.66 -179.25 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.7 t -125.44 142.91 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.898 0.38 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 19' ' ' THR . 7.3 tmtm? -113.39 60.25 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 18' ' ' LYS . 5.8 m 34.54 46.56 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -45.46 134.62 6.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.507 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 78.0 m-20 -116.38 169.49 9.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.946 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 23' ' ' ASP . 25.6 m-20 -88.69 -41.93 12.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 22' ' ' ASN . 24.2 t70 -34.85 -50.43 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.507 ' CD2' ' HB2' ' A' ' 21' ' ' ASN . 59.9 m-70 -53.45 166.2 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.566 HG21 ' HE ' ' A' ' 43' ' ' ARG . 49.6 pt -130.28 144.74 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -110.87 128.23 55.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.752 HD12 HD11 ' A' ' 91' ' ' ILE . 6.1 mt -115.95 133.07 56.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.7 ' O ' HG23 ' A' ' 90' ' ' THR . 6.2 mtmp? -90.92 113.03 25.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.454 HG11 ' CE1' ' A' ' 54' ' ' TYR . 16.7 t -89.9 117.1 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.149 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.09 123.06 44.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -104.95 145.3 15.9 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.522 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -46.07 -33.05 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 110.881 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 34' ' ' GLY . 63.9 m-20 -86.71 49.01 1.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 33' ' ' ASP . . . 34.71 51.97 0.8 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.3 t -119.04 120.59 37.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.884 0.373 . . . . 0.0 110.881 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 85.8 t -107.64 119.55 57.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.508 HG12 ' CE1' ' A' ' 39' ' ' PHE . 13.5 t -128.15 122.67 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.4 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 26.3 mt-30 -92.37 163.32 13.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.674 ' CG ' HD13 ' A' ' 50' ' ' LEU . 88.9 m-85 -153.72 123.36 6.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -103.57 109.45 21.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.6 pt -133.4 178.52 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -90.76 168.62 11.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.566 ' HE ' HG21 ' A' ' 25' ' ' ILE . 19.2 mmt85 -77.57 -34.41 53.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -98.29 37.98 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.577 ' C ' HG22 ' A' ' 79' ' ' THR . 30.4 m -126.35 134.66 26.21 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.587 0.708 . . . . 0.0 111.149 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.494 ' HD2' HG23 ' A' ' 45' ' ' THR . 53.6 Cg_endo -69.8 129.83 18.24 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.664 2.243 . . . . 0.0 112.362 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.681 HD22 HD23 ' A' ' 50' ' ' LEU . 54.0 mt -51.98 -16.46 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 47' ' ' LEU . 3.2 p -36.4 -40.79 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -77.11 -41.64 41.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.681 HD23 HD22 ' A' ' 47' ' ' LEU . 1.1 tp -58.95 -53.61 56.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.486 ' C ' ' HE1' ' A' ' 62' ' ' MET . 1.8 mtt -59.01 -54.54 45.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.455 ' N ' ' HE1' ' A' ' 62' ' ' MET . 37.7 mttt -51.02 -44.91 61.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.83 -23.0 67.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.665 ' CE2' HG11 ' A' ' 93' ' ' VAL . 68.8 t80 -80.06 -46.18 16.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 15.3 p -68.5 -37.52 80.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 6.0 pt-20 -69.45 -45.53 68.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.457 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 18.8 ttt-85 -42.57 -50.41 5.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -87.73 -45.31 10.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.28 32.96 2.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.586 HD11 ' OE1' ' A' ' 95' ' ' GLN . 3.0 mt -100.27 173.69 6.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.82 0.343 . . . . 0.0 110.936 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.0 m -88.59 137.67 32.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.823 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.486 ' HE1' ' C ' ' A' ' 51' ' ' MET . 0.3 OUTLIER -60.81 -24.82 66.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.4 ptt-85 -82.04 -24.87 35.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -76.58 -41.59 45.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.617 HG22 ' HA ' ' A' ' 95' ' ' GLN . 2.6 pp -104.03 160.59 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.448 ' O ' HG13 ' A' ' 93' ' ' VAL . 38.0 mmt-85 -140.36 167.91 21.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.446 ' CZ ' ' HA ' ' A' ' 51' ' ' MET . 21.8 m-85 -123.1 154.49 38.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -151.45 157.6 42.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -145.55 121.51 10.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.1 t0 58.52 30.28 19.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.78 33.34 42.43 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.457 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -142.31 142.16 23.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.602 0.715 . . . . 0.0 110.937 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 118.01 5.42 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.683 2.256 . . . . 0.0 112.342 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.504 HG22 HD11 ' A' ' 83' ' ' LEU . 2.4 pt -100.15 147.3 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -110.85 154.86 23.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -62.02 -39.54 92.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 82.4 p -60.33 -29.54 68.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.62 158.42 36.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.831 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.577 HG22 ' C ' ' A' ' 45' ' ' THR . 0.8 OUTLIER -114.77 159.86 35.67 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.638 0.732 . . . . 0.0 111.136 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.462 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.9 Cg_endo -69.69 -17.49 37.88 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.701 2.268 . . . . 0.0 112.358 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.08 -26.08 31.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.07 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -72.92 -31.73 64.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.504 HD11 HG22 ' A' ' 74' ' ' ILE . 11.4 mt -98.82 19.75 14.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 47.16 40.75 10.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.9 mtt -61.57 99.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 54.4 mt-10 -74.79 166.62 23.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -67.36 165.58 16.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 50.23 28.65 3.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.532 ' HB2' HD22 ' A' ' 27' ' ' LEU . 5.7 m-20 -75.32 -175.74 2.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.7 HG23 ' O ' ' A' ' 28' ' ' LYS . 96.9 m -147.07 126.92 13.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.166 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.752 HD11 HD12 ' A' ' 27' ' ' LEU . 7.9 mt -98.23 153.8 3.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.145 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -112.42 120.75 42.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.665 HG11 ' CE2' ' A' ' 54' ' ' TYR . 53.5 t -135.23 151.68 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.512 ' O ' HG22 ' A' ' 65' ' ' ILE . 5.6 m-85 -114.33 109.45 18.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.617 ' HA ' HG22 ' A' ' 65' ' ' ILE . 19.4 mt-30 -96.98 104.83 16.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -73.8 134.42 43.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -59.66 110.14 1.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.6 t -63.72 159.58 18.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.9 p -114.95 140.19 49.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 117.75 169.83 14.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.5 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 137.27 34.88 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.628 2.219 . . . . 0.0 112.325 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 80.7 p -170.8 176.85 4.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.824 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.1 m -118.74 -61.76 1.61 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t -54.68 -47.42 73.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.918 0.39 . . . . 0.0 110.891 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.1 p -54.87 134.7 48.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.837 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.16 159.34 14.61 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -154.15 106.26 2.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.369 . . . . 0.0 110.883 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.7 t -127.57 166.36 18.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.39 129.11 36.42 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.543 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.19 137.93 53.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.531 ' HB1' ' OE1' ' A' ' 11' ' ' GLU . . . -171.21 123.14 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -121.23 85.22 2.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.531 ' OE1' ' HB1' ' A' ' 9' ' ' ALA . 0.9 OUTLIER -102.87 49.29 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.452 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 15.0 ptpt 34.33 54.03 1.53 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.452 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 53.7 Cg_endo -69.79 0.4 5.73 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.706 2.27 . . . . 0.0 112.335 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -72.64 94.26 1.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -154.03 156.92 38.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.52 128.22 4.75 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.494 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.8 p -85.29 141.03 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.933 0.397 . . . . 0.0 111.133 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -81.6 -46.09 14.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.3 p -98.02 131.07 44.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -118.08 92.98 3.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -59.22 -48.41 81.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.515 ' HB3' ' CE1' ' A' ' 24' ' ' HIS . 5.0 m120 -92.43 170.8 9.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.484 ' O ' ' CG ' ' A' ' 24' ' ' HIS . 6.9 m-20 -99.99 114.4 27.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.515 ' CE1' ' HB3' ' A' ' 22' ' ' ASN . 45.8 m80 -159.75 170.93 20.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.0 pt -127.86 148.77 32.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -116.55 130.85 56.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.677 ' HB2' HD11 ' A' ' 91' ' ' ILE . 3.6 mt -116.58 131.51 56.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.444 ' O ' HG23 ' A' ' 90' ' ' THR . 23.6 mtmt -91.03 111.57 23.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.818 HG22 HD12 ' A' ' 91' ' ' ILE . 7.5 t -90.11 125.12 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.12 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.47 144.01 32.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -174.13 -42.25 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.502 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -76.88 164.89 25.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.758 0.313 . . . . 0.0 110.954 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -83.69 31.51 0.47 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.83 31.93 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.455 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.9 t -146.24 133.93 21.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.913 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.9 t -125.39 132.42 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.152 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.604 HG12 ' CE1' ' A' ' 39' ' ' PHE . 23.7 t -107.89 122.37 62.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -91.41 162.18 14.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.637 ' CG ' HD13 ' A' ' 50' ' ' LEU . 91.3 m-85 -152.81 122.5 6.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.1 tttm -105.12 110.06 22.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.7 pt -132.5 177.14 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.2 mttp -89.11 157.31 18.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.0 mtp180 -63.7 -38.74 92.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.51 ' CG ' ' O ' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -95.43 41.23 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.647 ' C ' HG22 ' A' ' 79' ' ' THR . 3.2 m -123.77 133.25 24.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.591 0.71 . . . . 0.0 111.109 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.402 ' C ' ' N ' ' A' ' 48' ' ' SER . 54.0 Cg_endo -69.72 122.19 8.88 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.506 HD22 HD23 ' A' ' 50' ' ' LEU . 72.4 mt -44.54 -22.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 47' ' ' LEU . 46.5 t -34.32 -61.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -54.65 -46.76 74.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.637 HD13 ' CG ' ' A' ' 39' ' ' PHE . 2.8 tp -55.56 -57.73 10.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.494 ' O ' ' N ' ' A' ' 54' ' ' TYR . 2.3 mtt -55.1 -66.38 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' MET . 42.7 mttt -38.12 -46.62 1.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.64 -36.89 85.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.537 ' CE2' HG11 ' A' ' 93' ' ' VAL . 87.5 t80 -58.52 -29.61 66.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 59' ' ' GLY . 86.3 m -77.21 -57.37 3.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.839 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.407 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 5.2 pt-20 -53.3 -42.38 66.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.428 ' HD3' HG11 ' A' ' 37' ' ' VAL . 50.7 ttt180 -51.41 -49.67 61.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -99.35 5.04 46.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 56.61 35.92 69.1 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.483 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 75.5 mt -98.6 178.73 4.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.856 0.36 . . . . 0.0 110.934 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.2 m -102.19 131.1 48.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.2 tpt -52.86 -55.61 21.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.47 -40.03 81.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.851 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -60.6 -35.03 75.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.5 pt -103.3 168.21 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.494 ' O ' HG13 ' A' ' 93' ' ' VAL . 31.9 mmt-85 -144.41 155.45 43.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.846 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.858 ' HB3' HD11 ' A' ' 74' ' ' ILE . 95.0 m-85 -117.07 152.15 35.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -154.45 157.0 37.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -144.09 129.78 19.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.4 t0 50.59 26.5 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.59 36.01 30.89 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -140.22 145.41 41.49 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.609 0.719 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 116.12 4.41 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.718 2.279 . . . . 0.0 112.326 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.858 HD11 ' HB3' ' A' ' 67' ' ' PHE . 9.6 pt -100.84 155.77 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -122.42 150.04 43.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -58.75 -33.39 70.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.7 p -67.86 -27.36 66.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -72.63 156.54 38.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.647 HG22 ' C ' ' A' ' 45' ' ' THR . 0.9 OUTLIER -114.71 159.63 36.45 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.637 0.732 . . . . 0.0 111.117 -179.887 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.446 ' CD ' ' O ' ' A' ' 45' ' ' THR . 53.5 Cg_endo -69.76 -15.14 36.94 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.721 2.281 . . . . 0.0 112.282 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.68 -23.87 27.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.086 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -76.02 -32.96 59.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.0 mt -95.51 7.59 45.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 60.66 36.22 19.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 7.1 mtt -57.42 99.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -71.69 177.41 4.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -77.42 152.82 34.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 59.19 27.16 16.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.456 ' HB3' HD22 ' A' ' 27' ' ' LEU . 17.3 t70 -72.2 173.57 8.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 28' ' ' LYS . 33.5 m -131.61 129.84 41.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.818 HD12 HG22 ' A' ' 29' ' ' VAL . 13.0 mt -98.35 152.83 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -106.01 120.71 42.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.537 HG11 ' CE2' ' A' ' 54' ' ' TYR . 59.4 t -144.13 143.47 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -109.69 109.45 20.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -89.69 103.29 15.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -67.47 139.82 57.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -61.27 105.28 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 27.8 m -38.02 117.12 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.3 p -80.92 82.9 6.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 65.28 86.96 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 109.27 2.26 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.728 2.285 . . . . 0.0 112.368 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.7 m 56.91 38.46 29.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 89.8 p -130.5 175.29 9.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.503 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -153.92 175.24 13.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.378 . . . . 0.0 110.883 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.5 p -163.58 165.63 23.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.73 178.08 18.37 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.9 m -157.95 159.84 36.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 110.873 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.0 p -135.58 171.59 14.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.01 173.29 16.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 ttt -112.16 144.95 40.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.783 0.325 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -93.46 94.19 8.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -72.32 97.17 1.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -93.76 59.0 2.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.466 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 5.4 mtmp? 46.58 52.89 12.51 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.569 0.7 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 53.8 Cg_endo -69.75 80.52 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.688 2.259 . . . . 0.0 112.356 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -149.99 152.23 34.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -167.4 150.94 6.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -113.94 108.62 2.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.8 t -107.86 102.68 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.365 . . . . 0.0 111.114 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.8 118.76 32.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.5 m -94.69 128.33 41.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.171 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -96.21 -42.2 8.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -144.83 158.96 43.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -91.1 51.51 1.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -100.01 32.8 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -153.12 155.22 36.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.65 HD11 ' HB2' ' A' ' 80' ' ' PRO . 39.8 pt -125.71 140.68 47.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.509 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -89.1 139.09 30.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.625 ' CD1' HD11 ' A' ' 91' ' ' ILE . 3.5 mt -135.22 121.95 20.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.491 ' O ' HG23 ' A' ' 90' ' ' THR . 22.2 mtmt -92.05 111.72 23.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.782 HG22 ' HB ' ' A' ' 91' ' ' ILE . 11.7 t -92.01 134.59 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.41 124.07 44.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -160.42 -50.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.47 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.457 ' OE1' ' CB ' ' A' ' 35' ' ' SER . 17.7 mt-30 -49.11 176.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.769 0.319 . . . . 0.0 110.969 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -83.27 20.54 1.27 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 145.31 39.8 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.516 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.457 ' CB ' ' OE1' ' A' ' 32' ' ' GLN . 1.1 t -145.43 120.23 9.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.931 0.396 . . . . 0.0 110.873 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.4 t -99.88 126.25 53.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.5 t -107.51 122.1 61.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -95.52 152.64 18.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.512 ' CG ' HD13 ' A' ' 50' ' ' LEU . 72.6 m-85 -140.64 126.06 18.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.9 tttt -106.84 102.11 11.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.3 pt -122.25 171.68 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.417 ' HD3' ' NE2' ' A' ' 44' ' ' HIS . 16.3 mtpt -79.46 139.79 37.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.491 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 1.2 ppt_? -58.11 -20.62 41.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.417 ' NE2' ' HD3' ' A' ' 42' ' ' LYS . 2.6 p-80 -103.98 1.57 31.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.407 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 1.8 m -93.22 131.8 32.07 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 111.147 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 132.06 22.59 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.669 2.246 . . . . 0.0 112.374 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.573 HD22 HD23 ' A' ' 50' ' ' LEU . 36.4 mt -46.59 -20.6 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' LEU . 79.9 p -34.36 -54.62 0.52 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -65.36 -46.3 80.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.573 HD23 HD22 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -53.16 -58.03 8.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.963 179.849 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.444 ' C ' ' HE1' ' A' ' 62' ' ' MET . 2.6 mtt -52.73 -52.05 57.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.466 ' N ' ' HE1' ' A' ' 62' ' ' MET . 10.8 mtpp -53.69 -32.9 53.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.13 -25.35 42.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.618 ' CE1' HG11 ' A' ' 93' ' ' VAL . 55.1 t80 -80.18 -36.68 34.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 16.0 p -75.18 -35.3 61.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -75.2 -41.56 57.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -49.66 -48.96 49.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -87.22 -46.29 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.63 28.3 3.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 mt -101.33 172.86 6.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.342 . . . . 0.0 110.95 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.9 t -96.19 146.67 24.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.466 ' HE1' ' N ' ' A' ' 52' ' ' LYS . 3.6 mmt -59.27 -42.47 91.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -30.02 69.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -70.23 -38.74 75.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.541 HG22 ' O ' ' A' ' 94' ' ' PHE . 37.7 pt -102.95 158.92 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.3 mmt-85 -138.16 128.11 25.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.713 ' HB3' HD11 ' A' ' 74' ' ' ILE . 77.6 m-85 -90.62 148.01 22.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -150.43 155.28 39.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.455 ' CG ' ' HE3' ' A' ' 85' ' ' MET . 78.4 t80 -145.68 108.49 4.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.2 t70 72.83 26.42 2.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.32 35.24 34.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.502 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -140.56 142.87 30.51 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.64 0.733 . . . . 0.0 110.919 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 120.43 7.23 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.652 2.235 . . . . 0.0 112.355 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.713 HD11 ' HB3' ' A' ' 67' ' ' PHE . 6.6 pt -105.62 144.35 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -116.29 147.21 41.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -49.7 -41.99 44.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.3 p -54.77 -42.61 71.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -63.13 145.47 55.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.64 160.53 26.25 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.556 0.693 . . . . 0.0 111.198 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.65 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.7 Cg_endo -69.71 -17.78 37.6 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 43' ' ' ARG . . . -83.38 -30.12 27.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -65.47 -40.7 93.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 mt -84.44 5.38 27.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 60.93 43.47 11.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.455 ' HE3' ' CG ' ' A' ' 69' ' ' PHE . 10.7 mtp -71.57 106.68 4.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 16.3 pt-20 -84.76 167.58 15.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -61.42 146.68 47.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 67.47 36.55 3.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 86' ' ' GLU . 17.8 m-20 -81.16 -176.15 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.838 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 28' ' ' LYS . 96.6 m -140.68 126.48 19.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.782 ' HB ' HG22 ' A' ' 29' ' ' VAL . 6.8 mt -100.17 145.55 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -105.84 121.41 43.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.618 HG11 ' CE1' ' A' ' 54' ' ' TYR . 91.3 t -141.66 151.58 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.541 ' O ' HG22 ' A' ' 65' ' ' ILE . 40.0 m-85 -112.31 112.08 23.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -90.93 109.64 20.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -81.43 115.56 20.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.845 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -62.62 104.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 32.1 p -73.24 93.39 1.87 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.8 t -114.47 90.55 3.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 158.44 165.96 16.7 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 178.56 4.44 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.1 t 67.05 42.29 2.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.2 m -103.68 83.6 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.511 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t 49.47 51.24 16.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.895 0.379 . . . . 0.0 110.889 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 m -92.52 173.6 7.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.856 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.35 -79.29 0.26 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.4 p 43.76 49.84 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 0.0 110.866 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 p -112.89 169.83 8.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.421 ' C ' ' SD ' ' A' ' 8' ' ' MET . . . 145.44 115.24 0.95 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.421 ' SD ' ' C ' ' A' ' 7' ' ' GLY . 4.7 mpp? -141.2 160.37 40.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -142.45 176.12 9.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -129.49 76.83 1.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -97.98 -22.45 16.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.494 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 13.4 mtpp -62.54 -59.97 11.26 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.579 0.704 . . . . 0.0 110.851 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 53.5 Cg_endo -69.78 1.89 4.04 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.716 2.277 . . . . 0.0 112.312 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.04 134.88 33.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -140.16 173.69 11.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -143.27 144.0 13.17 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.463 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.0 t -102.95 118.61 50.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 111.136 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.5 tttp -116.65 123.9 48.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.0 m -115.92 153.79 30.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -114.9 -27.54 7.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -56.4 -59.88 4.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -63.06 167.01 5.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.43 132.64 37.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -136.32 159.49 41.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.563 HD12 ' HB3' ' A' ' 85' ' ' MET . 5.7 pt -119.2 151.48 21.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -116.22 130.26 56.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.787 HD12 HD11 ' A' ' 91' ' ' ILE . 2.7 mt -118.3 131.18 56.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.3 mttt -93.55 116.71 29.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.774 HG22 ' HB ' ' A' ' 91' ' ' ILE . 45.0 t -94.08 131.78 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.42 140.79 41.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -146.36 -156.07 6.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.499 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -79.2 148.2 32.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.827 0.346 . . . . 0.0 110.915 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 34' ' ' GLY . 5.7 t70 72.54 44.1 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 33' ' ' ASP . . . 35.78 44.85 0.73 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.6 t -97.21 122.95 40.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 110.88 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.2 t -116.55 114.3 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.125 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.8 t -111.19 123.36 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -94.16 159.35 15.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.576 ' CG ' HD13 ' A' ' 50' ' ' LEU . 93.3 m-85 -150.35 127.86 11.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.7 tttp -110.97 110.62 21.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.8 pt -129.85 178.13 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.142 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -88.15 159.04 18.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.612 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 13.2 ptt180 -72.69 -13.41 61.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -113.66 19.35 16.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.4 m -111.01 132.11 21.83 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 111.132 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 131.74 21.86 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.682 HD22 HD23 ' A' ' 50' ' ' LEU . 27.0 mt -49.41 -19.28 0.5 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.957 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 47' ' ' LEU . 89.8 p -35.5 -52.6 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -66.97 -41.16 87.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.682 HD23 HD22 ' A' ' 47' ' ' LEU . 0.8 OUTLIER -56.5 -57.18 13.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.492 ' HB3' ' CZ ' ' A' ' 67' ' ' PHE . 3.6 mtt -53.78 -57.76 9.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -43.19 -56.21 3.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.91 -38.24 64.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.111 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.466 ' CE1' HG11 ' A' ' 93' ' ' VAL . 59.4 t80 -67.46 -23.9 65.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 78.9 m -85.63 -43.06 13.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -70.14 -42.61 72.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.7 ttm-85 -47.69 -45.28 28.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.455 ' HG3' ' NE2' ' A' ' 95' ' ' GLN . 35.0 mm-40 -90.7 -59.12 2.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 131.64 30.06 0.56 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mt -108.15 176.68 5.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.34 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 t -102.87 169.62 8.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 58.7 mmm -79.08 -45.19 20.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -3.93 25.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -95.84 -31.42 13.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.6 pt -113.6 164.71 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -134.77 147.87 50.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 51' ' ' MET . 77.0 m-85 -111.27 144.99 39.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 24.6 mtt-85 -138.15 152.06 48.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.61 ' CD1' ' CE ' ' A' ' 85' ' ' MET . 66.3 t80 -142.87 106.02 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.5 t0 69.62 28.83 4.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.86 29.27 43.04 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -141.77 146.01 39.29 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.631 0.729 . . . . 0.0 110.877 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 128.61 16.3 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.596 HD13 ' HB2' ' A' ' 69' ' ' PHE . 1.4 pt -112.34 135.75 50.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.124 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.453 ' H ' ' ND2' ' A' ' 75' ' ' ASN . 0.0 OUTLIER -98.05 150.16 21.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -58.14 -30.01 66.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 59.7 p -68.5 -43.08 77.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.172 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.447 ' CG ' ' OD1' ' A' ' 75' ' ' ASN . 29.2 m-20 -55.26 151.99 8.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.35 160.81 27.05 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.563 0.696 . . . . 0.0 111.141 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -20.28 34.91 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.656 2.237 . . . . 0.0 112.355 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 43' ' ' ARG . . . -79.37 -30.58 42.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.93 -40.91 95.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.6 mt -90.35 9.17 29.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 85' ' ' MET . 8.3 mt-10 55.36 33.56 21.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.61 ' CE ' ' CD1' ' A' ' 69' ' ' PHE . 3.3 mmt -37.05 119.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -78.89 162.71 25.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.57 133.84 44.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 64.38 33.93 10.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -68.24 -174.99 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.9 m -135.72 123.41 22.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.152 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.787 HD11 HD12 ' A' ' 27' ' ' LEU . 5.8 mt -98.56 144.56 11.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -106.3 123.43 48.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.523 HG12 ' N ' ' A' ' 94' ' ' PHE . 91.4 t -140.01 158.55 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.523 ' N ' HG12 ' A' ' 93' ' ' VAL . 1.0 OUTLIER -119.1 121.19 39.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.455 ' NE2' ' HG3' ' A' ' 58' ' ' GLN . 31.5 mt-30 -101.21 108.16 19.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -104.75 119.11 38.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -39.13 125.57 1.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 92.6 m -78.24 127.91 32.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.0 t -91.71 106.94 18.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -173.54 -175.95 41.65 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 102' ' ' SER . 53.5 Cg_endo -69.76 -1.13 7.95 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.645 2.23 . . . . 0.0 112.337 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 101' ' ' PRO . 1.1 t -36.07 118.6 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.2 t -129.05 -175.11 3.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m -111.43 42.75 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 110.849 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.5 p -40.83 -53.54 2.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.99 135.45 2.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.531 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -62.52 -34.09 76.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.872 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m 52.2 46.47 26.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.44 -120.42 1.33 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.459 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 ttt -80.23 115.86 20.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.851 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.64 86.53 6.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -112.55 88.67 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 12' ' ' LYS . 32.8 mt-10 -91.38 42.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.447 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.1 OUTLIER 36.98 53.7 2.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.632 0.73 . . . . 0.0 110.929 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 53.6 Cg_endo -69.75 119.52 6.45 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 2.252 . . . . 0.0 112.313 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.7 OUTLIER -154.82 172.63 17.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -85.57 176.25 8.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -133.37 129.79 5.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.4 p -129.88 130.72 66.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.93 0.395 . . . . 0.0 111.12 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' N ' ' HD2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -79.05 124.14 27.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.4 p -101.09 169.7 8.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -109.42 87.41 2.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -124.58 179.69 4.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -117.25 -179.69 3.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 t70 73.83 31.54 1.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.559 ' CE1' ' HG2' ' A' ' 42' ' ' LYS . 15.2 m-70 -100.54 160.32 14.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.608 HD11 ' HB2' ' A' ' 80' ' ' PRO . 16.6 pt -116.96 143.49 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -106.94 124.94 50.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.656 ' CD1' HD11 ' A' ' 91' ' ' ILE . 2.2 mt -115.28 125.85 53.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -90.92 115.44 27.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.773 HG22 ' HB ' ' A' ' 91' ' ' ILE . 57.5 t -92.1 113.32 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.05 126.0 36.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.062 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.49 161.83 12.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.488 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -58.72 -35.8 73.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.338 . . . . 0.0 110.888 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -52.77 -38.76 61.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.76 -39.34 2.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.541 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.5 m -58.68 177.48 0.14 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.925 0.393 . . . . 0.0 110.843 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 87.8 t -140.32 124.91 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.109 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.439 HG12 ' CE1' ' A' ' 39' ' ' PHE . 14.6 t -107.25 121.98 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -96.71 161.55 13.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.78 ' CG ' HD13 ' A' ' 50' ' ' LEU . 96.9 m-85 -150.56 136.58 18.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -118.58 105.82 12.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.9 pt -128.24 177.47 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.559 ' HG2' ' CE1' ' A' ' 24' ' ' HIS . 36.8 mttp -88.55 160.54 17.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -67.86 -37.75 82.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -84.08 -7.7 59.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.482 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 13.7 m -83.73 130.33 56.01 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.552 0.692 . . . . 0.0 111.143 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 137.82 36.38 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.253 . . . . 0.0 112.343 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.531 HD22 HD23 ' A' ' 50' ' ' LEU . 69.5 mt -51.55 -21.26 2.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 47' ' ' LEU . 8.9 t -34.96 -62.27 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.9 mmtm -53.12 -45.37 68.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.78 HD13 ' CG ' ' A' ' 39' ' ' PHE . 1.3 tp -57.32 -61.37 2.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.971 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.437 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 2.4 mtt -49.32 -68.21 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -37.84 -52.92 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.22 -45.31 68.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.424 ' CE2' HG11 ' A' ' 93' ' ' VAL . 84.4 t80 -53.95 -29.64 43.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.487 ' SG ' HD11 ' A' ' 65' ' ' ILE . 7.7 m -77.61 -59.56 2.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -53.73 -41.21 66.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 44.6 ttm-85 -44.98 -46.84 11.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -95.19 -57.8 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.54 32.99 0.5 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.492 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mt -107.81 178.35 4.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.35 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 t -92.69 135.54 34.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.74 -30.98 57.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -77.12 -48.02 18.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -47.78 -41.09 22.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.487 HD11 ' SG ' ' A' ' 55' ' ' CYS . 31.1 pt -97.8 156.49 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -130.31 150.06 51.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.57 ' HB3' HD11 ' A' ' 74' ' ' ILE . 89.9 m-85 -116.16 146.76 42.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.483 ' CG ' ' HB3' ' A' ' 92' ' ' ASP . 9.6 ptt180 -153.41 141.12 19.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.457 ' HB3' ' CG2' ' A' ' 74' ' ' ILE . 48.3 t80 -126.22 130.85 51.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.0 t70 62.9 32.91 15.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.03 28.87 63.64 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.505 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -141.34 146.65 43.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.592 0.71 . . . . 0.0 110.907 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 112.25 3.03 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.646 2.231 . . . . 0.0 112.337 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.57 HD11 ' HB3' ' A' ' 67' ' ' PHE . 3.8 pt -93.79 148.71 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -114.15 144.96 42.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.429 ' HB2' ' CB ' ' A' ' 48' ' ' SER . 13.1 pt-20 -49.74 -43.19 47.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 69.9 p -51.83 -48.2 64.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -57.08 156.37 7.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.59 158.21 36.14 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.595 0.712 . . . . 0.0 111.102 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.608 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.9 Cg_endo -69.75 -10.47 28.65 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.638 2.226 . . . . 0.0 112.369 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -90.45 -28.77 18.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -68.93 -35.93 77.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.957 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.7 mt -90.13 3.3 53.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 61.93 36.4 15.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.7 mtt -51.18 106.74 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -72.24 171.59 11.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -69.43 155.22 40.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 11.0 pt-20 43.72 38.56 2.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -66.15 -175.25 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 85.2 m -141.7 118.9 11.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.773 ' HB ' HG22 ' A' ' 29' ' ' VAL . 4.7 mt -98.21 147.26 6.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.483 ' HB3' ' CG ' ' A' ' 68' ' ' ARG . 2.9 t70 -108.81 120.84 43.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.491 HG23 HG13 ' A' ' 29' ' ' VAL . 90.9 t -132.19 156.17 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.481 ' N ' HG12 ' A' ' 93' ' ' VAL . 2.5 m-85 -114.45 109.58 18.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -92.48 104.02 16.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -71.71 158.21 36.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.948 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -93.65 107.08 18.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.5 t -99.49 131.9 45.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.4 t -56.94 115.71 2.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 105.62 65.07 0.65 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 141.76 46.2 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.34 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 68.7 p -114.48 94.25 4.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 34.1 m -158.0 140.72 14.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.95 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 t -166.17 144.26 5.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 110.852 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.3 m -63.09 -56.96 12.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.99 173.37 14.07 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.451 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -168.4 151.44 5.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.922 0.391 . . . . 0.0 110.851 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -121.53 171.29 8.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.57 -154.18 6.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -83.25 124.83 30.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.84 107.49 19.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -83.09 46.54 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -79.32 -57.4 3.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.492 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 27.6 mtmt -39.48 -59.88 1.46 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.59 0.709 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 53.1 Cg_endo -69.8 154.64 67.36 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.327 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.3 mttp 55.38 41.51 31.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -79.4 127.27 31.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.79 81.65 0.57 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.0 p -154.87 123.62 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.917 0.389 . . . . 0.0 111.147 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -126.88 157.93 38.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 36.2 p -78.03 50.0 0.85 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -101.26 172.31 7.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -99.5 122.97 43.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.72 122.95 16.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.14 -61.03 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -76.52 162.56 27.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.836 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.555 HD11 ' HB2' ' A' ' 80' ' ' PRO . 7.8 pt -125.52 144.96 33.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -112.57 115.15 28.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.8 ' HB2' HD11 ' A' ' 91' ' ' ILE . 6.8 mt -103.48 130.61 50.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -91.08 112.15 23.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.681 HG22 HD12 ' A' ' 91' ' ' ILE . 40.8 t -93.07 130.98 41.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.92 128.57 54.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.12 -37.16 0.48 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -131.55 167.91 18.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 110.932 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -85.11 28.68 0.7 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -166.17 24.0 0.14 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.4 t -158.92 152.45 22.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.864 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 76.7 t -148.56 135.16 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.182 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 t -117.78 121.9 68.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -101.1 163.5 12.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.787 ' CG ' HD13 ' A' ' 50' ' ' LEU . 91.7 m-85 -153.46 124.62 7.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -108.33 111.07 22.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.2 pt -132.1 178.32 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -88.68 159.63 17.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.2 ptt85 -66.66 -33.42 75.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -89.24 -8.08 54.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.473 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 2.4 m -82.29 130.62 58.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.577 0.703 . . . . 0.0 111.143 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 150.8 68.79 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.697 2.265 . . . . 0.0 112.34 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.528 HD22 HD23 ' A' ' 50' ' ' LEU . 70.8 mt -66.43 -17.86 65.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.427 ' CB ' ' HB2' ' A' ' 76' ' ' GLU . 13.9 t -39.17 -54.87 1.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.9 mttm -61.37 -42.64 99.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.787 HD13 ' CG ' ' A' ' 39' ' ' PHE . 1.0 OUTLIER -57.59 -59.92 4.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.554 ' HG2' ' CD1' ' A' ' 67' ' ' PHE . 3.2 mtt -48.51 -56.38 8.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -50.17 -43.49 52.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.62 -21.79 65.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.069 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 81.8 t80 -86.5 -34.8 19.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.7 p -76.43 -31.57 57.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 4.8 pt-20 -78.8 -43.37 25.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.421 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 34.5 ttm-85 -45.63 -35.74 4.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 -102.52 -53.84 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 125.99 28.88 0.99 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.425 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mt -101.48 173.76 6.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.3 m -99.46 139.34 35.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.491 ' CE ' ' HB2' ' A' ' 51' ' ' MET . 1.2 ttt -44.76 -52.97 7.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.5 ptt-85 -60.41 -50.92 71.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -43.76 -44.11 6.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.5 pt -99.89 168.19 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -146.7 138.62 24.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.554 ' CD1' ' HG2' ' A' ' 51' ' ' MET . 89.0 m-85 -101.09 160.67 14.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' A' ' 67' ' ' PHE . 31.7 mtt180 -163.39 140.34 7.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.577 ' CD2' ' HE3' ' A' ' 85' ' ' MET . 27.3 t80 -124.79 107.22 10.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.3 t0 74.35 26.43 1.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.45 31.44 37.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.422 ' NE2' ' O ' ' A' ' 69' ' ' PHE . 1.8 pt20 -134.15 142.51 43.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.541 0.686 . . . . 0.0 110.898 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 123.64 10.27 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.682 2.254 . . . . 0.0 112.329 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 pt -114.73 136.78 50.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -102.63 154.7 18.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.427 ' HB2' ' CB ' ' A' ' 48' ' ' SER . 7.9 pt-20 -57.45 -43.59 84.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 77.7 p -56.72 -35.62 68.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.16 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.1 159.08 15.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.85 160.14 37.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.565 0.697 . . . . 0.0 111.118 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.555 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.2 Cg_endo -69.79 -14.78 36.48 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.72 2.28 . . . . 0.0 112.304 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.54 -26.89 27.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -73.4 -29.04 62.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.2 mt -87.69 3.61 47.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 62.8 47.25 4.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.577 ' HE3' ' CD2' ' A' ' 69' ' ' PHE . 7.8 mtt -79.24 130.06 35.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.406 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 17.6 mt-10 -94.8 -71.2 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.525 ' OD1' HG22 ' A' ' 25' ' ' ILE . 3.5 m-20 -175.68 162.61 2.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 43.26 29.51 0.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.47 ' HB2' HD22 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -75.0 124.78 27.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.5 m -78.22 131.33 37.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.8 HD11 ' HB2' ' A' ' 27' ' ' LEU . 13.2 mt -98.16 151.75 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -109.82 120.74 43.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.545 HG12 ' N ' ' A' ' 94' ' ' PHE . 59.4 t -138.67 160.16 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.545 ' N ' HG12 ' A' ' 93' ' ' VAL . 5.8 m-85 -124.79 109.45 13.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -91.45 104.79 17.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -75.53 111.36 10.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -78.69 83.79 4.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 12.3 t -73.24 144.37 46.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 49.4 m -127.11 104.74 8.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 173.72 155.12 11.38 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 130.76 19.95 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.1 t -74.59 139.54 43.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 68.0 m -117.31 41.38 2.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -120.7 94.9 4.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.857 0.36 . . . . 0.0 110.842 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.7 p -69.3 -19.8 63.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.07 100.59 0.79 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.7 m -69.97 -67.65 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.869 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 m -136.94 174.04 11.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.53 42.93 4.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.4 tpt -107.63 140.82 40.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.35 -60.88 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.087 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.8 t0 51.71 42.62 29.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -86.51 39.66 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.558 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.1 OUTLIER 63.89 47.76 0.79 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.576 0.703 . . . . 0.0 110.872 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 53.5 Cg_endo -69.72 111.87 2.92 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.704 2.269 . . . . 0.0 112.33 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.94 162.95 17.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.91 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -153.43 169.36 23.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.91 64.81 1.76 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.513 ' O ' HG22 ' A' ' 17' ' ' VAL . 4.3 p -96.71 -9.9 8.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.905 0.383 . . . . 0.0 111.127 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -75.9 153.76 36.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.7 p -121.63 -46.48 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -154.49 166.71 32.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -55.59 125.86 22.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -142.2 176.5 8.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.426 ' O ' ' ND1' ' A' ' 24' ' ' HIS . 1.3 p30 -114.04 97.43 6.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.426 ' ND1' ' O ' ' A' ' 23' ' ' ASP . 50.7 m-70 -149.36 172.19 15.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.423 HD11 ' HB2' ' A' ' 80' ' ' PRO . 26.5 pt -131.38 145.51 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.108 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -112.53 120.62 42.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.695 ' CD1' HD11 ' A' ' 91' ' ' ILE . 3.4 mt -103.84 130.71 51.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.743 ' O ' HG23 ' A' ' 90' ' ' THR . 22.3 mtmt -93.33 112.83 24.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.919 HG22 ' HB ' ' A' ' 91' ' ' ILE . 97.0 t -93.24 128.35 44.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.143 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.87 147.34 41.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -150.37 164.52 29.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.466 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 33' ' ' ASP . 70.6 mt-30 -56.95 -43.44 81.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 32' ' ' GLN . 12.2 t0 -34.9 -40.69 0.12 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.92 32.31 5.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.536 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.7 t -138.72 122.98 18.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 0.0 110.875 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 82.3 t -87.86 119.05 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.185 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.7 t -111.53 122.0 65.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -98.65 157.2 16.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.669 ' CG ' HD13 ' A' ' 50' ' ' LEU . 86.8 m-85 -145.6 133.43 21.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -106.9 114.6 28.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.4 pt -136.12 179.4 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -95.47 158.38 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.468 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -66.32 -22.76 66.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -112.39 47.4 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.734 ' C ' HG22 ' A' ' 79' ' ' THR . 63.2 m -134.25 134.87 23.16 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.563 0.697 . . . . 0.0 111.164 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.503 ' HD2' HG23 ' A' ' 45' ' ' THR . 53.6 Cg_endo -69.78 129.81 18.22 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.252 . . . . 0.0 112.358 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.718 HD22 HD23 ' A' ' 50' ' ' LEU . 59.6 mt -53.05 -19.12 2.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 47' ' ' LEU . 81.4 p -35.26 -48.28 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -70.01 -49.2 53.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.718 HD23 HD22 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -49.61 -52.21 32.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.6 mtt -57.12 -57.2 13.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -47.45 -35.57 8.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.57 -26.77 60.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.581 ' CE2' HG11 ' A' ' 93' ' ' VAL . 62.5 t80 -80.82 -40.23 25.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 12.7 p -73.02 -39.43 66.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 6.0 pt-20 -67.36 -44.34 79.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.438 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 18.6 ttt85 -51.46 -43.4 62.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -95.5 -5.48 42.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.88 20.86 76.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.5 mt -89.11 179.24 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.371 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.9 t -105.32 136.5 44.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.9 ttm -54.3 -42.5 70.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -67.89 -30.6 69.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -69.88 -41.6 74.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.3 pt -98.27 155.56 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 -121.43 147.31 45.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.562 ' HB3' HD11 ' A' ' 74' ' ' ILE . 97.1 m-85 -113.38 146.69 39.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.3 mtm-85 -151.48 162.6 40.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.576 ' CZ ' ' HG2' ' A' ' 85' ' ' MET . 27.8 t80 -149.25 110.59 4.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.9 t70 65.47 26.04 11.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.94 34.56 14.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -139.99 138.48 19.64 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.645 0.736 . . . . 0.0 110.89 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 116.1 4.4 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.712 2.275 . . . . 0.0 112.344 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.562 HD11 ' HB3' ' A' ' 67' ' ' PHE . 10.8 pt -103.98 146.41 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -113.79 172.96 6.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -73.13 -29.64 63.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 36.1 p -81.92 14.78 2.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -111.3 149.15 31.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.734 HG22 ' C ' ' A' ' 45' ' ' THR . 0.8 OUTLIER -110.28 160.61 27.72 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.607 0.718 . . . . 0.0 111.127 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.423 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.4 Cg_endo -69.78 -24.82 29.17 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.66 2.24 . . . . 0.0 112.365 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' A' ' 43' ' ' ARG . . . -77.53 -24.54 49.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -75.07 -33.66 61.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.1 mt -83.56 8.07 15.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 62.39 44.54 7.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.576 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 30.3 mtt -76.53 148.05 37.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -107.17 -74.47 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 89' ' ' ASP . 4.4 p30 -175.56 164.07 3.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 39.7 27.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 87' ' ' ASP . 6.8 m-20 -62.95 -175.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.743 HG23 ' O ' ' A' ' 28' ' ' LYS . 70.2 m -139.92 130.33 25.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.919 ' HB ' HG22 ' A' ' 29' ' ' VAL . 5.4 mt -99.83 151.41 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -107.34 123.03 47.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.581 HG11 ' CE2' ' A' ' 54' ' ' TYR . 54.1 t -141.41 154.04 20.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.411 ' N ' ' CG1' ' A' ' 93' ' ' VAL . 9.4 m-85 -126.33 111.47 14.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -81.91 123.07 28.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -97.31 130.36 44.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.3 pm0 -54.82 136.71 46.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.1 t -114.91 125.11 53.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.9 t -59.2 156.91 11.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 72.97 143.08 0.54 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.497 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 117.74 5.26 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.331 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.4 p -106.63 -52.15 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.1 t 48.75 42.06 19.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -82.42 86.98 6.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.837 0.351 . . . . 0.0 110.872 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -65.69 142.71 57.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.66 148.33 19.98 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.446 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.7 m -152.83 172.77 16.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.859 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -147.71 136.0 21.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.51 83.31 0.2 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.0 tpt -93.31 96.67 10.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.329 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -154.51 122.72 6.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -93.08 99.23 11.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -111.66 47.84 1.0 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.464 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 25.9 mmmt 53.38 53.26 11.19 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.578 0.704 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 53.7 Cg_endo -69.77 0.61 5.39 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.652 2.235 . . . . 0.0 112.356 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.58 46.52 1.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -114.49 135.43 54.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 169.89 90.82 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.4 t -123.57 124.05 68.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.942 0.401 . . . . 0.0 111.113 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.78 174.42 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.8 m -132.59 -43.65 0.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 21' ' ' ASN . 14.4 mp0 -64.77 165.65 10.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 20' ' ' GLU . 8.1 m-80 -34.52 142.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -131.15 102.07 5.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -108.04 112.11 24.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.538 ' CE1' ' HG2' ' A' ' 42' ' ' LYS . 47.5 m-70 -124.88 176.16 6.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.449 HD11 ' HB2' ' A' ' 80' ' ' PRO . 47.6 pt -131.99 145.14 35.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -111.2 134.24 52.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.608 HD12 HD11 ' A' ' 91' ' ' ILE . 7.3 mt -120.06 129.19 54.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -90.92 109.76 20.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.933 HG22 ' HB ' ' A' ' 91' ' ' ILE . 73.7 t -89.98 128.39 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.093 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.34 144.57 30.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.05 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -144.69 -162.12 9.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -81.13 159.14 24.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.34 . . . . 0.0 110.932 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.6 t0 65.84 37.03 5.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.42 52.68 8.63 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.515 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 t -105.94 137.3 44.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.905 0.383 . . . . 0.0 110.833 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.4 t -127.75 110.19 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.164 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.0 t -110.57 121.99 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.098 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.401 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 43.3 mt-30 -96.27 165.09 12.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.658 ' CG ' HD13 ' A' ' 50' ' ' LEU . 81.6 m-85 -152.29 135.15 15.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -109.97 108.56 18.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.8 pt -133.08 175.16 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.538 ' HG2' ' CE1' ' A' ' 24' ' ' HIS . 24.9 mttp -93.41 161.27 14.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.639 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 4.8 ptm180 -64.8 -43.38 93.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.05 37.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.555 ' C ' HG22 ' A' ' 79' ' ' THR . 54.0 m -124.54 131.43 24.16 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.572 0.701 . . . . 0.0 111.142 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 125.46 12.16 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.553 HD22 HD23 ' A' ' 50' ' ' LEU . 86.6 mt -44.8 -22.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 47' ' ' LEU . 7.5 t -34.31 -57.82 0.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -58.1 -42.43 85.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.786 HD21 ' CD1' ' A' ' 91' ' ' ILE . 1.9 tp -60.12 -61.52 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.507 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 2.1 mtt -48.49 -58.84 4.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.421 ' HG2' ' HE3' ' A' ' 62' ' ' MET . 7.3 mmmt -45.62 -41.43 10.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.56 -30.46 71.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.659 ' CE2' HG11 ' A' ' 29' ' ' VAL . 48.8 t80 -77.52 -39.73 45.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.4 p -74.02 -31.72 63.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 4.1 pt-20 -76.1 -44.73 37.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.446 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 21.4 ttt180 -45.22 -48.56 12.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.4 ' HG3' ' NE2' ' A' ' 95' ' ' GLN . 19.9 mm100 -89.18 -41.0 12.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.27 25.37 5.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.544 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.5 mt -98.44 169.68 9.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.786 0.327 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.3 p -99.13 135.06 41.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.421 ' HE3' ' HG2' ' A' ' 52' ' ' LYS . 7.3 ttm -40.6 -55.98 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -50.44 -52.18 40.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -49.53 -33.87 15.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.4 pt -106.43 172.99 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.09 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -147.39 129.37 15.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.676 ' HB3' HD11 ' A' ' 74' ' ' ILE . 86.5 m-85 -96.49 148.08 23.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -146.53 162.02 39.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.418 ' CG ' ' HE3' ' A' ' 85' ' ' MET . 66.0 t80 -148.25 106.29 3.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.4 t70 64.69 30.76 12.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.15 38.13 35.6 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -138.66 142.09 33.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.653 0.74 . . . . 0.0 110.85 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 113.76 3.49 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.314 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.676 HD11 ' HB3' ' A' ' 67' ' ' PHE . 15.5 pt -105.19 150.25 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -123.2 152.62 41.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -54.54 -43.77 72.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 57.4 p -54.58 -44.91 73.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -58.43 150.3 22.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.555 HG22 ' C ' ' A' ' 45' ' ' THR . 0.7 OUTLIER -108.41 160.34 27.45 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.582 0.706 . . . . 0.0 111.154 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.459 ' CD ' ' O ' ' A' ' 45' ' ' THR . 54.1 Cg_endo -69.74 -20.85 34.4 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.336 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.639 ' HB2' ' HB2' ' A' ' 43' ' ' ARG . . . -80.21 -22.13 42.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.11 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -75.61 -34.17 60.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.6 mt -96.36 18.72 13.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 50.35 42.0 25.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.418 ' HE3' ' CG ' ' A' ' 69' ' ' PHE . 7.0 mtt -67.27 103.16 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.449 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 18.9 pt-20 -82.19 167.92 18.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -64.05 155.34 31.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 62.77 27.51 16.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.553 ' HB2' HD22 ' A' ' 27' ' ' LEU . 12.5 m-20 -71.56 -177.52 1.89 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 91.0 m -142.85 123.77 14.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.933 ' HB ' HG22 ' A' ' 29' ' ' VAL . 5.0 mt -98.37 146.34 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.082 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -105.39 120.75 42.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.562 HG11 ' CE1' ' A' ' 54' ' ' TYR . 89.1 t -139.86 157.93 26.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.505 ' N ' HG12 ' A' ' 93' ' ' VAL . 65.0 m-85 -129.94 115.23 16.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.4 ' NE2' ' HG3' ' A' ' 58' ' ' GLN . 79.6 mt-30 -91.24 104.56 17.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -72.17 122.54 21.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -88.39 115.09 25.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.0 m -77.46 -52.94 8.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.133 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.5 p -170.38 134.05 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.491 ' N ' ' HD2' ' A' ' 101' ' ' PRO . . . -49.7 -59.03 7.66 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 100' ' ' GLY . 53.8 Cg_endo -69.81 3.8 2.58 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.721 2.281 . . . . 0.0 112.311 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 101' ' ' PRO . 2.8 m -33.56 122.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.9 t -114.3 141.25 47.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.535 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.2 p -123.18 92.25 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 p 45.4 42.76 7.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -42.57 157.86 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.523 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -139.52 176.32 8.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.87 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 p -80.43 171.33 15.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.67 -146.94 9.63 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -172.33 173.18 4.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.782 0.325 . . . . 0.0 110.856 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.32 176.07 8.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -90.9 45.51 1.26 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -79.73 -42.52 24.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.499 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 12.0 mmmt -56.22 -59.97 10.35 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.548 0.69 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 53.7 Cg_endo -69.8 138.81 38.55 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.643 2.229 . . . . 0.0 112.328 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.1 mttt -149.56 157.59 43.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -68.62 177.57 2.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 160.26 -51.72 0.36 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.5 t -73.63 82.61 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.913 0.387 . . . . 0.0 111.156 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -129.07 172.98 10.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.0 p 38.95 50.96 1.82 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -154.26 136.64 14.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -43.25 161.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -117.14 41.86 2.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.82 28.11 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -127.08 155.79 42.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.617 HD11 ' HB2' ' A' ' 80' ' ' PRO . 20.5 pt -111.53 135.1 51.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -96.2 123.84 39.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.745 ' CD1' HD11 ' A' ' 91' ' ' ILE . 3.3 mt -114.14 128.49 56.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.422 ' O ' HG23 ' A' ' 90' ' ' THR . 40.5 mttt -92.82 108.98 20.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.641 HG22 ' HB ' ' A' ' 91' ' ' ILE . 14.3 t -91.06 126.0 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.28 140.64 39.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.095 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.32 25.3 4.57 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.498 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 38.56 34.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.79 0.329 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -101.99 -38.45 7.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.816 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.67 -19.71 1.47 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.2 t -126.4 178.76 5.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.904 0.383 . . . . 0.0 110.846 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.7 t -129.68 134.65 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.646 HG12 ' CE1' ' A' ' 39' ' ' PHE . 3.0 t -107.28 121.98 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.5 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 42.5 mt-30 -100.77 162.32 12.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.646 ' CE1' HG12 ' A' ' 37' ' ' VAL . 69.1 m-85 -154.39 128.69 9.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.1 tttp -107.06 107.16 18.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.2 pt -129.68 175.66 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -86.99 155.24 20.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 6.2 ptp180 -67.06 -25.11 66.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -96.56 -10.1 28.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.412 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 2.4 m -80.26 132.51 59.21 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.58 0.705 . . . . 0.0 111.177 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 134.9 29.13 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.72 2.28 . . . . 0.0 112.371 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.641 HD22 HD23 ' A' ' 50' ' ' LEU . 38.7 mt -48.63 -20.98 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' LEU . 34.5 t -35.12 -55.99 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.809 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.03 -41.63 98.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.641 HD23 HD22 ' A' ' 47' ' ' LEU . 1.8 tp -58.39 -54.08 51.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.55 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 3.1 mtt -58.1 -54.64 44.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -46.82 -56.18 6.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.26 -38.94 69.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.144 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -63.07 -29.49 70.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 9.1 m -80.53 -55.3 4.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 13.5 pt-20 -52.67 -45.09 66.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.438 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 10.9 ttt85 -45.95 -45.05 15.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -97.9 0.92 47.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.96 34.45 82.06 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mt -113.25 -175.16 2.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 110.937 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.6 m -112.19 150.08 31.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 54.8 mtp -54.83 -48.47 72.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 33.5 ptt-85 -60.15 -47.17 87.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -48.01 -28.16 2.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.8 pt -118.4 172.82 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -135.71 144.85 46.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.734 ' HB3' HD11 ' A' ' 74' ' ' ILE . 83.1 m-85 -111.12 141.1 45.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 92' ' ' ASP . 13.4 mmt180 -142.14 156.3 45.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.41 ' CG ' ' HE3' ' A' ' 85' ' ' MET . 59.0 t80 -148.08 116.18 6.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.0 t70 60.33 30.48 19.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.72 32.81 48.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.515 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.434 ' C ' ' HD3' ' A' ' 68' ' ' ARG . 12.6 mm100 -137.9 140.91 30.82 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.599 0.714 . . . . 0.0 110.92 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 112.31 3.04 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.74 2.294 . . . . 0.0 112.302 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.734 HD11 ' HB3' ' A' ' 67' ' ' PHE . 7.2 pt -100.14 147.54 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -118.58 159.52 23.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -59.87 -42.99 94.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 79.1 p -53.73 -48.99 69.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -55.46 154.92 5.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -111.16 158.97 34.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.569 0.699 . . . . 0.0 111.141 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.617 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.8 Cg_endo -69.79 -8.95 24.9 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 43' ' ' ARG . . . -90.92 -36.11 14.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -59.48 -32.11 69.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 mt -96.89 3.59 52.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 58.47 50.45 9.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.41 ' HE3' ' CG ' ' A' ' 69' ' ' PHE . 11.4 mtp -70.54 105.86 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.418 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 18.9 mt-10 -73.93 171.97 12.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -69.01 156.65 38.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 54.49 28.76 10.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 86' ' ' GLU . 11.2 m-20 -66.91 -177.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 28' ' ' LYS . 85.3 m -142.92 122.23 13.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.745 HD11 ' CD1' ' A' ' 27' ' ' LEU . 2.9 mt -99.31 146.19 9.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 68' ' ' ARG . 21.1 m-20 -105.72 120.68 42.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.666 HG22 ' HA ' ' A' ' 67' ' ' PHE . 24.8 t -137.32 159.94 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.532 ' N ' ' CG1' ' A' ' 93' ' ' VAL . 0.8 OUTLIER -138.17 109.5 6.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -116.64 143.56 45.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -108.66 130.6 55.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -116.39 166.38 12.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 71.2 p -100.46 169.26 9.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.3 t -104.92 47.8 0.86 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.812 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -118.66 -103.05 2.11 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.477 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 102' ' ' SER . 53.4 Cg_endo -69.77 166.96 25.85 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.709 2.272 . . . . 0.0 112.303 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 101' ' ' PRO . 63.3 p 37.63 46.73 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.1 m -114.61 152.23 32.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.838 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.446 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -146.81 160.76 41.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.84 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.7 p -135.72 175.35 9.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.09 109.28 0.22 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.457 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 p -159.56 122.2 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 110.844 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -174.67 150.14 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.91 58.68 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -130.46 97.32 4.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.24 161.97 17.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.74 105.57 14.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.53 40.48 1.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.509 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 22.1 tttm 65.56 50.63 0.79 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.583 0.706 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 53.6 Cg_endo -69.76 172.46 12.6 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.655 2.237 . . . . 0.0 112.335 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt 40.99 38.71 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -121.02 123.26 41.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 138.06 121.23 1.95 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.4 m -83.22 151.79 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 111.147 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -108.54 89.64 3.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 42.3 p -140.25 117.39 11.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -125.5 90.89 3.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -90.46 -54.94 3.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -104.02 167.95 9.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -82.41 129.14 34.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -109.26 170.35 8.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.415 HD11 ' HB2' ' A' ' 80' ' ' PRO . 34.2 pt -124.06 145.24 31.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.5 m-80 -111.39 130.51 55.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.513 HD12 HD11 ' A' ' 91' ' ' ILE . 7.4 mt -116.9 129.82 56.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -90.95 111.45 22.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.814 HG22 ' HB ' ' A' ' 91' ' ' ILE . 40.8 t -90.32 123.3 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.28 136.5 45.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.65 174.01 29.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -84.31 48.22 1.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -112.78 -38.87 4.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.87 32.77 3.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.486 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.3 t -170.39 123.98 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.92 0.39 . . . . 0.0 110.885 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.7 t -77.33 124.99 36.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.655 HG12 ' CE1' ' A' ' 39' ' ' PHE . 31.5 t -106.04 123.03 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.166 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -99.29 160.82 14.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.655 ' CE1' HG12 ' A' ' 37' ' ' VAL . 87.1 m-85 -148.35 133.04 17.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -111.08 111.95 23.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.5 pt -133.32 177.15 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.5 mttm -90.62 155.45 18.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -64.82 -28.7 69.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -94.51 -5.65 45.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.441 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 15.7 m -83.75 129.65 58.64 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.553 0.692 . . . . 0.0 111.179 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 134.16 27.24 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.673 2.249 . . . . 0.0 112.317 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.504 HD22 HD23 ' A' ' 50' ' ' LEU . 81.0 mt -47.35 -25.55 1.04 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 47' ' ' LEU . 13.0 p -34.5 -54.73 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -60.81 -40.17 91.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.564 HD13 ' CG ' ' A' ' 39' ' ' PHE . 1.7 tp -62.27 -56.8 14.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.1 mtt -53.62 -49.54 67.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -52.92 -48.8 67.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.01 -27.44 69.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.482 ' CE2' HG11 ' A' ' 93' ' ' VAL . 61.1 t80 -73.3 -33.44 65.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.937 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 32.6 m -76.87 -43.15 37.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -66.57 -41.97 87.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.8 ttt-85 -46.35 -55.71 6.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -84.16 -53.63 5.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 124.79 33.66 0.74 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.469 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mt -108.91 177.68 4.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.348 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 t -102.73 148.05 26.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 15.2 mmm -52.79 -53.99 40.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -59.91 -42.9 94.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -51.95 -42.82 63.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.0 pt -102.96 172.75 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.414 ' NH1' ' HB3' ' A' ' 66' ' ' ARG . 3.6 mmm180 -142.34 148.72 38.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.689 ' HB3' HD11 ' A' ' 74' ' ' ILE . 85.0 m-85 -115.34 149.49 37.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -152.57 149.93 29.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.525 ' CD1' ' CE ' ' A' ' 85' ' ' MET . 87.1 t80 -129.73 114.43 15.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 61.92 27.3 16.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.01 33.14 24.54 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.458 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -137.85 143.44 40.05 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.656 0.741 . . . . 0.0 110.904 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 120.26 7.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.685 2.257 . . . . 0.0 112.304 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.689 HD11 ' HB3' ' A' ' 67' ' ' PHE . 5.3 pt -107.24 146.55 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.164 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -114.86 136.07 53.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.403 ' HB2' ' CB ' ' A' ' 48' ' ' SER . 10.1 pt-20 -42.46 -44.23 3.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 75.0 p -52.75 -47.75 67.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.17 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -52.94 159.25 1.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -114.72 159.51 36.95 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.622 0.725 . . . . 0.0 111.129 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.441 ' CD ' ' O ' ' A' ' 45' ' ' THR . 53.7 Cg_endo -69.74 -14.95 36.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.342 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.62 -29.78 25.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -67.93 -33.07 73.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.415 ' O ' ' CG ' ' A' ' 84' ' ' GLU . 16.8 mt -97.08 21.1 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 83' ' ' LEU . 8.3 pt-20 43.02 46.9 4.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.525 ' CE ' ' CD1' ' A' ' 69' ' ' PHE . 8.7 mtt -68.19 102.5 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.457 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 11.4 pt-20 -84.07 161.45 20.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.825 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -58.54 155.37 12.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 62.66 32.42 16.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.474 ' HB2' HD22 ' A' ' 27' ' ' LEU . 12.7 m-20 -79.69 -176.66 5.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.812 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 96.9 m -143.39 129.57 19.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.814 ' HB ' HG22 ' A' ' 29' ' ' VAL . 8.4 mt -100.89 147.98 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.16 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -107.04 120.9 43.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.815 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.482 HG11 ' CE2' ' A' ' 54' ' ' TYR . 96.6 t -143.05 152.46 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.41 ' N ' HG12 ' A' ' 93' ' ' VAL . 10.2 m-85 -120.4 110.63 16.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -90.02 101.6 14.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -97.18 159.89 14.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -57.79 133.82 55.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 98' ' ' THR . 9.2 t -82.6 126.6 32.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 72.0 m -121.52 111.25 17.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 165.07 146.29 4.72 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 146.66 60.65 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.65 2.233 . . . . 0.0 112.318 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.9 t -84.76 114.43 22.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.3 t 58.15 53.69 6.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.807 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 m -160.95 148.23 15.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.4 m -51.96 162.66 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.41 -42.31 0.15 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.486 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.3 t -53.06 139.09 29.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.912 0.386 . . . . 0.0 110.847 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.9 t -166.43 144.58 5.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.53 -102.21 0.73 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.526 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.8 tpt 57.87 41.65 24.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -138.46 141.91 39.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.08 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -104.24 85.08 2.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -113.75 -29.25 7.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.527 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 20.6 mtmt -65.49 -58.44 11.89 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.542 0.687 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 54.0 Cg_endo -69.79 0.5 5.58 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.678 2.252 . . . . 0.0 112.351 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -71.51 112.84 7.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.432 ' CD ' ' O ' ' A' ' 13' ' ' PRO . 16.4 mp0 -119.9 166.84 12.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 159.62 78.44 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.457 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.9 m -99.4 156.55 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 0.0 111.162 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -138.93 146.8 41.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.0 p -117.28 114.72 24.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -148.31 168.38 22.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.4 ' ND2' ' OD1' ' A' ' 23' ' ' ASP . 8.6 t30 -50.99 168.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -85.12 49.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.4 ' OD1' ' ND2' ' A' ' 21' ' ' ASN . 1.0 OUTLIER -101.98 22.36 13.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.593 ' CE1' ' HG2' ' A' ' 42' ' ' LYS . 8.4 m80 -113.34 164.64 13.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.713 HD11 ' HB2' ' A' ' 80' ' ' PRO . 27.8 pt -130.16 133.6 63.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.117 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -96.75 131.09 43.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.585 ' CD1' HD11 ' A' ' 91' ' ' ILE . 9.9 mt -119.39 129.21 54.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -90.9 112.49 24.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.619 HG11 ' CE2' ' A' ' 54' ' ' TYR . 32.7 t -93.79 114.2 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.65 124.93 38.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.074 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.31 44.98 0.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.508 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -152.03 167.19 29.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.832 0.349 . . . . 0.0 110.842 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -83.89 31.39 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 137.54 30.42 0.26 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t -140.74 137.9 33.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 110.861 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.9 t -124.36 134.35 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.596 HG12 ' CE1' ' A' ' 39' ' ' PHE . 19.6 t -110.75 122.03 64.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -98.93 162.3 13.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.72 ' CG ' HD13 ' A' ' 50' ' ' LEU . 85.1 m-85 -151.53 124.61 8.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -106.4 112.6 25.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.552 ' HB ' HG21 ' A' ' 45' ' ' THR . 8.2 pt -135.08 174.84 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.593 ' HG2' ' CE1' ' A' ' 24' ' ' HIS . 8.1 mtpp -86.35 170.95 11.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -69.94 -33.94 72.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.462 ' C ' ' ND1' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -92.06 -2.75 56.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.552 HG21 ' HB ' ' A' ' 41' ' ' ILE . 19.3 m -75.79 118.87 74.18 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.548 0.69 . . . . 0.0 111.166 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 48' ' ' SER . 54.0 Cg_endo -69.7 122.5 9.2 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.67 2.247 . . . . 0.0 112.361 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.609 HD22 HD23 ' A' ' 50' ' ' LEU . 48.7 mt -41.69 -24.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' PRO . 6.7 p -34.98 -56.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -63.88 -37.71 88.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.72 HD13 ' CG ' ' A' ' 39' ' ' PHE . 1.5 tp -60.93 -59.9 4.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.543 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 5.9 mtt -49.11 -50.49 36.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -51.53 -52.89 43.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.86 -23.76 63.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.619 ' CE2' HG11 ' A' ' 29' ' ' VAL . 47.1 t80 -79.85 -35.07 38.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.583 ' SG ' HD11 ' A' ' 65' ' ' ILE . 59.9 m -76.94 -37.45 55.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 15.6 pt-20 -70.04 -45.32 67.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.43 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 43.7 ttt85 -44.37 -55.39 5.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -81.57 -50.77 8.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.63 35.61 0.9 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.522 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mt -111.08 179.06 4.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.849 0.356 . . . . 0.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.4 t -106.95 143.36 35.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 34.7 mmm -52.31 -36.97 54.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -67.67 -53.14 30.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -49.43 -41.29 39.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.583 HD11 ' SG ' ' A' ' 55' ' ' CYS . 8.3 pt -100.53 171.0 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -149.85 133.29 16.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.923 ' HB3' HD11 ' A' ' 74' ' ' ILE . 86.9 m-85 -92.21 162.49 14.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.0 mtt-85 -163.48 142.32 8.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.449 ' CD1' ' CE ' ' A' ' 85' ' ' MET . 76.6 t80 -125.92 116.63 21.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 62.15 28.95 17.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.27 36.39 27.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -141.47 144.42 33.69 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.616 0.722 . . . . 0.0 110.936 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 117.91 5.36 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.675 2.25 . . . . 0.0 112.315 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.923 HD11 ' HB3' ' A' ' 67' ' ' PHE . 2.7 pt -104.69 148.76 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 76' ' ' GLU . 20.1 m120 -114.8 133.68 55.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 75' ' ' ASN . 6.1 pt-20 -37.72 -42.74 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 52.1 p -54.24 -49.75 68.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.167 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -48.17 155.95 0.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.4 159.67 40.84 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.588 0.708 . . . . 0.0 111.155 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.713 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.7 Cg_endo -69.75 -7.65 21.6 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.664 2.243 . . . . 0.0 112.331 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -92.17 -27.87 17.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -74.97 -37.23 61.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.8 mt -91.47 11.11 25.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 53.2 39.84 30.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.449 ' CE ' ' CD1' ' A' ' 69' ' ' PHE . 7.2 mtt -58.28 98.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -62.69 -178.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.433 ' C ' ' HG2' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -79.48 162.15 25.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.433 ' HG2' ' C ' ' A' ' 87' ' ' ASP . 10.2 pt-20 36.29 38.22 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -72.15 -176.02 1.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 89.0 m -132.82 127.96 35.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.585 HD11 ' CD1' ' A' ' 27' ' ' LEU . 3.7 mt -98.37 156.02 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.134 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.433 ' N ' HG22 ' A' ' 91' ' ' ILE . 30.8 m-20 -112.6 121.93 46.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.508 HG22 ' HA ' ' A' ' 67' ' ' PHE . 92.4 t -144.45 150.36 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -112.82 109.43 18.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -93.65 106.72 18.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 97' ' ' GLN . 14.3 mm100 -84.38 158.55 21.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 96' ' ' GLN . 3.3 mp0 -35.53 109.56 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.8 t -50.57 144.24 8.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.7 t -56.78 -59.53 4.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -113.75 146.14 18.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.527 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 125.31 11.99 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.335 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 44.8 t -110.91 110.4 20.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 33.6 m -51.33 -61.81 2.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.895 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.465 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.8 m -74.7 -47.76 29.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 110.852 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.0 t -76.27 136.66 39.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.28 -100.0 0.15 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t 60.35 42.54 14.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.911 0.386 . . . . 0.0 110.878 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.9 p -52.2 153.83 2.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.68 174.49 16.98 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 49.54 41.78 21.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.329 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.66 40.03 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.134 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -121.8 106.51 11.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.4 mp0 -123.13 43.74 2.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.469 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 74.1 mmtt 60.07 52.86 3.51 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.588 0.708 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 53.6 Cg_endo -69.76 103.39 1.15 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.709 2.273 . . . . 0.0 112.325 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.18 159.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -85.4 116.46 23.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -136.97 64.39 0.57 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.491 HG22 HG22 ' A' ' 19' ' ' THR . 14.9 p -173.59 137.16 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.926 0.393 . . . . 0.0 111.094 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -112.17 113.62 25.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.491 HG22 HG22 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -174.15 110.66 0.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -99.89 147.74 25.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -99.3 -52.17 3.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 64.42 54.32 1.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -128.26 91.37 3.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -129.81 158.73 38.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.811 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.467 HG22 ' O ' ' A' ' 86' ' ' GLU . 4.9 pt -123.85 141.48 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -99.83 110.92 23.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.778 HD22 ' CG ' ' A' ' 89' ' ' ASP . 14.7 mt -102.86 128.89 49.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -93.66 109.08 20.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.683 HG22 HD12 ' A' ' 91' ' ' ILE . 15.4 t -89.88 121.04 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.03 114.08 28.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.46 -36.31 2.11 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 -126.83 -174.63 3.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.351 . . . . 0.0 110.938 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -82.9 26.18 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.8 -28.17 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.9 m -79.46 96.55 6.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.921 0.391 . . . . 0.0 110.877 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.1 t -109.81 124.4 66.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.092 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.718 HG12 ' CE1' ' A' ' 39' ' ' PHE . 21.8 t -117.16 122.5 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.404 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 39.7 mt-30 -97.02 162.63 13.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.718 ' CE1' HG12 ' A' ' 37' ' ' VAL . 81.1 m-85 -152.04 135.3 15.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -112.9 110.0 19.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.2 pt -129.11 179.79 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -95.78 164.06 12.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -70.03 -38.13 75.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.816 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -89.57 1.34 56.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.431 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 3.0 m -91.23 130.0 41.48 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.616 0.722 . . . . 0.0 111.122 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 139.06 39.21 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.559 HD22 HD23 ' A' ' 50' ' ' LEU . 61.6 mt -55.74 -16.59 4.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 p -37.9 -58.29 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -57.85 -44.72 86.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.67 HD13 ' CG ' ' A' ' 39' ' ' PHE . 1.2 tp -56.07 -63.05 1.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.547 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 5.3 mtt -45.41 -66.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.49 ' HG2' ' CE ' ' A' ' 62' ' ' MET . 15.8 mtmm -40.91 -54.55 2.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.13 -36.64 61.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.493 ' CE2' HG11 ' A' ' 93' ' ' VAL . 82.6 t80 -68.68 -36.14 78.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 59' ' ' GLY . 5.9 m -70.63 -50.67 34.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.67 -41.68 86.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 48.8 ttm-85 -55.42 -43.67 75.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.456 ' HG3' ' NE2' ' A' ' 95' ' ' GLN . 53.9 mm-40 -101.52 5.32 41.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 57.51 32.98 65.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.49 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.7 mt -97.57 -175.45 3.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.789 0.328 . . . . 0.0 110.953 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 t -113.19 135.03 54.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.49 ' CE ' ' HG2' ' A' ' 52' ' ' LYS . 2.2 ttt -50.01 -44.13 51.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -68.39 -49.66 58.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -47.09 -39.12 12.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.7 pt -102.75 167.41 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -144.74 127.26 16.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.827 ' HB3' HD11 ' A' ' 74' ' ' ILE . 83.4 m-85 -88.28 157.72 18.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 31.6 mtt85 -160.36 147.61 16.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.831 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.603 ' CD1' ' HE2' ' A' ' 85' ' ' MET . 92.0 t80 -139.2 112.04 7.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.3 t0 72.56 24.99 2.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.842 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.37 35.57 32.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.462 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -138.86 142.03 32.39 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 120.06 6.9 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.683 2.255 . . . . 0.0 112.291 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.827 HD11 ' HB3' ' A' ' 67' ' ' PHE . 10.9 pt -108.95 145.97 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -113.94 156.98 23.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -59.57 -32.44 70.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 76.9 p -65.87 -40.19 91.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.148 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -60.44 157.5 13.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.56 160.64 29.73 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.633 0.73 . . . . 0.0 111.081 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.446 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.8 Cg_endo -69.82 -24.93 28.83 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.646 2.23 . . . . 0.0 112.354 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.29 -22.15 55.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.056 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -75.92 -34.32 59.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.7 mt -86.2 11.02 12.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 61.01 41.03 14.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.603 ' HE2' ' CD1' ' A' ' 69' ' ' PHE . 8.2 mtt -76.26 116.92 17.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.467 ' O ' HG22 ' A' ' 25' ' ' ILE . 21.9 mt-10 -87.34 -74.23 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -175.72 165.73 3.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 42.83 29.63 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.778 ' CG ' HD22 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -70.09 -174.6 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 44.2 m -128.46 124.35 35.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.683 HD12 HG22 ' A' ' 29' ' ' VAL . 11.8 mt -98.11 144.2 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -105.71 123.65 48.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.493 HG11 ' CE2' ' A' ' 54' ' ' TYR . 97.0 t -145.37 143.87 21.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -105.23 111.3 24.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.456 ' NE2' ' HG3' ' A' ' 58' ' ' GLN . 15.6 mt-30 -94.74 99.16 11.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -104.97 114.21 28.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -92.53 127.18 37.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 37.4 m -121.3 145.11 48.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.3 t -118.09 109.83 16.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -69.19 146.02 43.73 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.472 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 142.11 46.92 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.692 2.261 . . . . 0.0 112.279 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.5 m -99.11 41.41 1.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.4 t 71.93 42.18 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 p -153.48 161.24 42.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.799 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.2 p -128.58 168.35 15.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.82 -86.99 1.98 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.537 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.4 m 50.91 43.15 28.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.844 0.354 . . . . 0.0 110.807 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 m -104.62 135.63 45.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.53 108.52 0.22 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.13 150.92 39.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.75 0.309 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -162.83 139.04 7.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.84 93.36 3.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -88.31 57.43 4.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.478 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 62.8 mttt 50.75 52.17 11.84 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.589 0.709 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 53.7 Cg_endo -69.78 1.18 4.68 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.637 2.225 . . . . 0.0 112.34 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -57.02 158.23 5.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -159.01 176.69 11.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 147.35 129.37 1.93 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.424 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.2 m -84.09 157.14 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.895 0.379 . . . . 0.0 111.126 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.03 125.98 16.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.1 p -111.65 93.18 4.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -160.84 144.65 13.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -63.14 88.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -49.88 145.71 5.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -117.11 -40.83 3.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.434 ' NE2' ' HG2' ' A' ' 42' ' ' LYS . 16.6 m80 -54.92 178.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.722 HG22 ' O ' ' A' ' 86' ' ' GLU . 21.5 pt -134.41 144.4 35.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -110.79 114.31 27.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.713 ' CD1' HD11 ' A' ' 91' ' ' ILE . 2.6 mt -106.22 129.4 54.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -92.62 107.18 19.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.602 HG22 ' HB ' ' A' ' 91' ' ' ILE . 24.4 t -90.6 117.24 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.16 144.76 25.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.165 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -138.8 -38.65 0.11 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.459 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 34' ' ' GLY . 27.1 tt0 -120.27 168.36 11.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.357 . . . . 0.0 110.936 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -41.18 -27.15 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.631 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -137.67 -33.91 0.2 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.1 t -40.5 125.15 2.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.914 0.388 . . . . 0.0 110.867 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 34' ' ' GLY . 37.6 t -136.59 125.14 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.439 HG12 ' CE1' ' A' ' 39' ' ' PHE . 11.7 t -121.39 122.01 66.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.157 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.427 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 37.2 mt-30 -95.44 162.65 13.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.669 ' CG ' HD13 ' A' ' 50' ' ' LEU . 70.5 m-85 -152.32 130.02 11.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.7 tttp -103.14 117.06 33.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.4 pt -139.87 -178.76 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.152 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.434 ' HG2' ' NE2' ' A' ' 24' ' ' HIS . 33.9 mtpt -99.69 169.6 9.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.9 ptt85 -73.87 -40.44 63.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -94.06 36.14 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.811 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.568 ' C ' HG22 ' A' ' 79' ' ' THR . 4.6 m -122.08 133.16 24.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.612 0.72 . . . . 0.0 111.113 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 125.09 11.74 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.725 2.283 . . . . 0.0 112.33 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.581 HD22 HD23 ' A' ' 50' ' ' LEU . 42.9 mt -48.86 -18.87 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 47' ' ' LEU . 55.5 p -33.57 -57.51 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -60.11 -51.45 69.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.67 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.8 OUTLIER -49.2 -53.92 19.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.56 ' HG2' ' CE1' ' A' ' 67' ' ' PHE . 16.0 mtt -49.53 -53.48 23.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.4 mtmm -51.74 -53.24 41.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.64 -23.85 4.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.523 ' CE2' ' CG1' ' A' ' 29' ' ' VAL . 48.4 t80 -83.17 -30.33 27.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 11.4 p -81.05 -35.46 31.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 5.9 pt-20 -70.64 -43.4 69.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.424 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 59.2 ttt-85 -47.67 -53.19 15.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -86.3 -32.03 21.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.61 31.25 6.82 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.518 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mt -103.6 178.23 4.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.9 m -97.77 150.88 20.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 39.8 mtp -64.52 -56.12 16.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -15.16 10.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -80.47 -43.28 21.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 48.7 pt -100.73 153.7 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.432 ' NH2' ' HB3' ' A' ' 73' ' ' PRO . 5.7 tpt180 -118.31 147.37 43.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.562 ' HB3' HD11 ' A' ' 74' ' ' ILE . 97.1 m-85 -109.13 141.72 40.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -144.28 155.56 43.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -150.7 137.69 19.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 42.87 28.57 0.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 73.28 36.89 55.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -138.97 145.09 43.94 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.432 ' HB3' ' NH2' ' A' ' 66' ' ' ARG . 53.9 Cg_endo -69.69 112.47 3.07 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.703 2.269 . . . . 0.0 112.363 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.562 HD11 ' HB3' ' A' ' 67' ' ' PHE . 10.0 pt -102.72 142.98 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -114.29 157.77 22.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -60.6 -41.09 94.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 23.9 p -63.13 -29.92 71.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.77 166.45 10.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.568 HG22 ' C ' ' A' ' 45' ' ' THR . 1.2 p -123.72 159.12 57.22 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.579 0.704 . . . . 0.0 111.148 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.492 ' HB2' ' CD1' ' A' ' 25' ' ' ILE . 54.2 Cg_endo -69.71 -17.26 37.9 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.735 2.29 . . . . 0.0 112.384 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.26 -24.01 32.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.097 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -76.47 -30.1 57.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.977 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.8 mt -86.59 4.22 41.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 65.26 49.32 1.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 24.8 mtt -84.42 143.17 29.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.722 ' O ' HG22 ' A' ' 25' ' ' ILE . 20.4 mm-40 -109.07 -75.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 89' ' ' ASP . 0.7 OUTLIER -172.58 170.32 4.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 39.61 25.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 87' ' ' ASP . 42.3 m-20 -63.7 -174.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 73.0 m -142.26 122.95 14.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.713 HD11 ' CD1' ' A' ' 27' ' ' LEU . 3.9 mt -98.72 150.77 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -109.63 120.69 43.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.42 HG11 ' CE1' ' A' ' 54' ' ' TYR . 75.0 t -134.11 147.9 30.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -109.22 109.24 20.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -86.94 119.15 26.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -94.79 146.64 24.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 52.86 42.12 31.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 72.3 m -43.04 134.37 3.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.3 t -70.79 -54.87 10.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 121.25 67.48 0.26 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 149.86 67.61 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.661 2.241 . . . . 0.0 112.37 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 84.3 p -53.07 140.13 26.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.6 t -93.32 156.03 17.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.474 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -138.8 111.69 7.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.82 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.1 p -154.73 145.35 22.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.1 175.49 21.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.1 p -161.68 111.06 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.358 . . . . 0.0 110.887 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.3 m -146.69 164.14 33.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.62 145.51 17.52 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.2 mmm -106.71 155.39 19.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.794 0.331 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.28 149.74 24.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -78.75 102.2 7.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.437 ' O ' ' CD ' ' A' ' 11' ' ' GLU . 9.4 tm-20 -84.14 46.14 1.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.475 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 1.4 mptm? 52.23 52.58 11.42 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.541 0.686 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 54.4 Cg_endo -69.72 172.48 12.52 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.679 2.253 . . . . 0.0 112.377 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt 50.67 40.84 25.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -49.99 -48.0 52.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -175.98 135.38 2.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.452 HG23 ' N ' ' A' ' 18' ' ' LYS . 30.1 m -92.86 -41.8 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.928 0.394 . . . . 0.0 111.089 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.452 ' N ' HG23 ' A' ' 17' ' ' VAL . 8.5 mptt 43.22 44.5 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.7 p -65.18 105.44 1.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.194 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -126.53 148.11 49.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.423 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 41.9 p-10 -105.21 94.41 5.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.423 ' CG ' ' O ' ' A' ' 21' ' ' ASN . 70.1 m-80 -162.25 175.55 11.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -87.77 111.79 21.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 43.4 m80 -143.81 175.61 9.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.443 HG22 ' O ' ' A' ' 86' ' ' GLU . 13.2 pt -140.9 137.62 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.168 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -103.6 111.66 24.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.812 HD22 ' HB2' ' A' ' 89' ' ' ASP . 6.2 mt -105.0 129.66 53.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -91.42 110.74 22.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.716 HG22 ' HB ' ' A' ' 91' ' ' ILE . 10.9 t -91.45 129.09 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.0 115.45 30.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.77 -151.83 9.26 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -100.65 -41.05 7.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.782 0.325 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -83.63 43.07 0.88 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.63 38.84 36.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.508 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.6 m -102.19 120.63 40.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.835 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.618 HG12 ' OE1' ' A' ' 38' ' ' GLN . 95.1 t -106.57 113.29 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.556 HG12 ' CE1' ' A' ' 39' ' ' PHE . 20.2 t -118.33 124.57 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.618 ' OE1' HG12 ' A' ' 36' ' ' VAL . 1.6 mp0 -96.37 163.09 13.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.718 ' CG ' HD13 ' A' ' 50' ' ' LEU . 91.1 m-85 -152.85 133.73 13.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -109.82 113.55 26.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.406 HD11 ' HG3' ' A' ' 80' ' ' PRO . 18.4 pt -134.72 -178.57 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.131 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -99.65 155.13 17.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.32 -27.96 69.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.441 ' CG ' ' O ' ' A' ' 44' ' ' HIS . 6.0 p80 -105.62 40.71 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.831 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.568 ' C ' HG22 ' A' ' 79' ' ' THR . 15.1 m -129.1 133.5 25.26 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.633 0.73 . . . . 0.0 111.087 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 48' ' ' SER . 53.7 Cg_endo -69.75 121.75 8.44 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.656 HD22 HD23 ' A' ' 50' ' ' LEU . 76.1 mt -42.95 -23.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 47' ' ' LEU . 7.4 t -34.0 -53.31 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -44.35 96.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.718 HD13 ' CG ' ' A' ' 39' ' ' PHE . 1.5 tp -58.15 -57.21 13.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.541 ' HG2' ' CE1' ' A' ' 67' ' ' PHE . 4.4 mtt -49.47 -66.81 0.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 51' ' ' MET . 24.5 mtpt -34.91 -55.95 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.28 -40.73 64.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.487 ' N ' ' O ' ' A' ' 51' ' ' MET . 53.6 t80 -58.18 -31.68 67.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 59' ' ' GLY . 74.6 m -76.25 -56.55 4.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.435 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 8.2 pt-20 -55.32 -44.37 75.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.435 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 33.5 ttm-85 -44.84 -49.56 10.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 70.6 mm-40 -98.63 -8.03 27.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 76.9 26.66 61.98 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.507 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.5 mt -96.18 -177.15 3.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.794 0.33 . . . . 0.0 110.937 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 t -102.13 175.09 5.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.4 ttt -93.93 -50.72 5.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.92 -6.95 9.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -92.16 -35.25 13.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.8 pt -105.69 165.2 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -140.11 145.29 37.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.809 ' HB3' HD11 ' A' ' 74' ' ' ILE . 87.8 m-85 -106.14 157.66 17.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -163.07 147.81 11.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.509 ' CE1' ' HB3' ' A' ' 89' ' ' ASP . 28.5 t80 -135.96 112.71 10.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.4 t70 70.58 25.15 4.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.8 34.29 28.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.524 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -135.88 138.23 27.33 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.579 0.704 . . . . 0.0 110.895 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 116.78 4.72 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.698 2.266 . . . . 0.0 112.294 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.809 HD11 ' HB3' ' A' ' 67' ' ' PHE . 10.0 pt -106.09 146.45 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -110.77 161.16 16.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -64.65 -39.23 93.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 75.5 p -64.68 -18.45 64.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.166 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.7 163.92 25.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.568 HG22 ' C ' ' A' ' 45' ' ' THR . 0.9 OUTLIER -120.52 160.77 42.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.579 0.704 . . . . 0.0 111.122 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.412 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.7 Cg_endo -69.72 -20.4 35.05 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.37 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.45 -27.04 46.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -74.12 -30.16 62.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.493 HD21 HG22 ' A' ' 74' ' ' ILE . 12.3 mt -87.61 10.66 17.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 60.58 48.43 7.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.489 ' HG2' ' CE2' ' A' ' 69' ' ' PHE . 8.9 mtt -91.26 138.6 31.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.557 ' CD ' ' N ' ' A' ' 86' ' ' GLU . 1.7 pm0 -119.27 -58.17 1.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -176.16 170.38 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 43.45 25.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.812 ' HB2' HD22 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -73.17 125.13 27.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.8 m -85.26 128.39 34.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.716 ' HB ' HG22 ' A' ' 29' ' ' VAL . 5.4 mt -100.57 145.38 11.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -107.53 121.2 44.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 99.5 t -139.64 147.08 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -111.35 109.89 20.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -85.89 106.85 17.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -98.36 156.68 16.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -123.61 151.96 42.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.8 p -70.06 145.04 51.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.8 t -72.14 125.49 27.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 149.37 85.48 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 133.44 25.51 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.701 2.267 . . . . 0.0 112.337 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.2 t -118.36 167.08 11.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.1 m -121.12 -59.0 1.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m 49.48 45.38 24.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 110.844 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.8 p -77.76 172.15 13.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.87 116.73 1.1 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.447 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.2 p -153.03 151.75 30.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 110.871 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.2 p -147.85 150.86 34.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.53 118.8 2.06 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.14 167.44 4.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.322 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 40.66 32.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.087 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -120.53 -7.74 9.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -88.8 -32.72 17.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.493 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 2.7 mptm? -58.8 -59.97 11.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.53 0.681 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 53.7 Cg_endo -69.77 115.84 4.28 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.69 2.26 . . . . 0.0 112.307 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -106.75 148.52 28.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.31 154.18 41.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.5 176.63 53.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.6 m -84.8 164.33 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.918 0.39 . . . . 0.0 111.114 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -100.75 93.09 5.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.7 m -135.13 136.96 42.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -53.72 155.57 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -85.29 59.97 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -68.79 -37.4 79.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -113.82 -62.28 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.587 ' CE1' ' HG2' ' A' ' 42' ' ' LYS . 63.6 m-70 -55.28 160.17 2.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.739 HD11 ' HB2' ' A' ' 80' ' ' PRO . 33.6 pt -133.34 132.04 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.489 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -88.21 126.21 35.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.648 ' CD1' HD11 ' A' ' 91' ' ' ILE . 10.5 mt -116.19 121.72 42.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -91.0 107.28 19.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.839 HG22 ' HB ' ' A' ' 91' ' ' ILE . 21.4 t -89.97 116.22 30.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.14 154.0 18.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.39 178.72 17.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -73.89 -28.84 61.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.822 0.344 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 34' ' ' GLY . 24.6 t70 -90.78 47.75 1.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 33' ' ' ASP . . . 34.94 55.74 0.84 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.481 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 m -117.82 138.67 51.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.851 0.358 . . . . 0.0 110.857 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 49.1 t -126.27 127.8 71.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.161 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.453 HG12 ' CE1' ' A' ' 39' ' ' PHE . 10.3 t -136.81 125.9 36.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -96.77 158.03 15.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.643 ' CG ' HD13 ' A' ' 50' ' ' LEU . 91.5 m-85 -149.45 122.14 8.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -101.51 115.71 31.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.481 HD11 ' HG3' ' A' ' 80' ' ' PRO . 14.1 pt -140.4 179.48 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.587 ' HG2' ' CE1' ' A' ' 24' ' ' HIS . 49.4 mttt -89.74 158.02 17.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.589 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -70.74 -21.39 62.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -108.82 36.83 2.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.638 ' C ' HG22 ' A' ' 79' ' ' THR . 43.8 m -125.13 135.02 26.28 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.595 0.712 . . . . 0.0 111.126 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.502 ' HD2' HG23 ' A' ' 45' ' ' THR . 53.7 Cg_endo -69.74 126.23 13.09 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.25 . . . . 0.0 112.369 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.667 HD22 HD23 ' A' ' 50' ' ' LEU . 32.7 mt -49.76 -20.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 47' ' ' LEU . 21.7 t -34.5 -45.98 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.93 -43.55 62.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.886 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.667 HD23 HD22 ' A' ' 47' ' ' LEU . 1.4 tp -56.1 -53.44 57.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.473 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 3.0 mtt -59.9 -58.98 6.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.419 ' N ' ' HE1' ' A' ' 62' ' ' MET . 20.5 mttt -39.61 -48.42 2.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.83 84.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.626 ' CE2' HG11 ' A' ' 93' ' ' VAL . 62.0 t80 -60.95 -32.11 71.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' GLY . 99.7 m -73.06 -54.05 9.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 4.4 pt-20 -57.23 -43.56 82.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.43 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 39.5 ttt180 -48.49 -44.08 35.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -104.87 2.1 29.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 59.83 37.5 92.6 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.531 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.3 mt -101.14 -176.31 3.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.5 m -108.47 132.28 53.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.466 ' CE ' ' HB2' ' A' ' 51' ' ' MET . 0.3 OUTLIER -49.56 -37.16 26.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.414 ' O ' ' NH1' ' A' ' 63' ' ' ARG . 13.5 tpt85 -75.63 -44.99 39.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -54.34 -30.39 51.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.9 pt -115.18 168.81 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 -143.75 162.74 35.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.698 ' HB3' HD11 ' A' ' 74' ' ' ILE . 63.0 m-85 -120.64 155.67 33.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.5 mtt180 -153.66 150.12 28.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.652 ' CD1' ' CE ' ' A' ' 85' ' ' MET . 76.5 t80 -137.69 110.44 7.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.1 t0 69.06 28.03 5.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.22 29.16 41.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.49 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -139.55 143.58 36.1 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.558 0.694 . . . . 0.0 110.926 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 122.39 9.07 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.718 2.279 . . . . 0.0 112.358 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.698 HD11 ' HB3' ' A' ' 67' ' ' PHE . 1.7 pt -101.54 144.16 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -106.35 131.54 53.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -39.97 -40.94 1.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 41.3 p -59.08 -44.72 91.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.117 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -56.0 148.03 18.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.842 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.638 HG22 ' C ' ' A' ' 45' ' ' THR . 0.7 OUTLIER -105.71 160.64 25.4 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.601 0.715 . . . . 0.0 111.124 -179.882 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.739 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.4 Cg_endo -69.75 -12.7 33.45 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.702 2.268 . . . . 0.0 112.339 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 43' ' ' ARG . . . -87.51 -27.65 22.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -71.44 -34.42 70.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.6 mt -92.65 9.24 35.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 55.57 48.62 18.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.652 ' CE ' ' CD1' ' A' ' 69' ' ' PHE . 7.8 mtt -69.89 120.65 15.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -84.94 177.3 8.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -75.5 149.35 38.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 55.51 25.54 7.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -58.97 -175.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 44.9 m -138.12 122.28 18.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.839 ' HB ' HG22 ' A' ' 29' ' ' VAL . 3.4 mt -98.23 147.54 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -105.56 121.14 43.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.626 HG11 ' CE2' ' A' ' 54' ' ' TYR . 43.2 t -136.7 156.37 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.447 ' N ' ' CG1' ' A' ' 93' ' ' VAL . 17.1 m-85 -116.62 109.77 17.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -95.1 108.22 20.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -74.8 148.12 40.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -111.19 52.18 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.6 m -94.9 93.83 7.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 51.9 p -175.02 144.95 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -153.57 -96.59 0.13 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -16.91 37.72 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.623 2.215 . . . . 0.0 112.351 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 96.8 p -45.08 131.46 7.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.816 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.7 t -142.02 114.25 8.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.51 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.6 m -128.47 155.15 45.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.914 0.388 . . . . 0.0 110.824 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 t -106.43 100.33 9.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.56 165.3 15.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 t 58.13 44.1 19.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.372 . . . . 0.0 110.882 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.3 p -44.05 -50.76 8.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.802 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.89 -152.01 17.2 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.5 tpp -130.33 147.41 52.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -45.07 -49.04 11.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.067 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -109.8 105.14 14.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -128.9 43.7 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.443 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 42.4 tttt 62.08 54.46 2.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.586 0.708 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.443 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 53.1 Cg_endo -69.81 106.82 1.74 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.263 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.409 ' HD3' ' C ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -45.33 156.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -47.16 113.71 0.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.47 153.63 9.86 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.547 HG12 HG23 ' A' ' 19' ' ' THR . 63.7 t -124.09 129.17 74.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.921 0.391 . . . . 0.0 111.119 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -76.96 102.2 6.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.547 HG23 HG12 ' A' ' 17' ' ' VAL . 29.4 p -135.54 141.14 45.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.12 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 21' ' ' ASN . 25.3 tt0 -43.31 -44.57 5.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 20' ' ' GLU . 4.8 t-20 -34.56 -52.01 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -38.0 145.71 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -165.59 124.33 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.43 ' NE2' ' HG2' ' A' ' 42' ' ' LYS . 9.5 m80 -128.84 158.41 38.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.626 HD11 ' HB2' ' A' ' 80' ' ' PRO . 36.2 pt -118.92 131.61 71.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.487 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -88.09 129.91 35.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.643 ' CD1' HD11 ' A' ' 91' ' ' ILE . 1.6 mt -124.83 126.45 45.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.649 ' O ' HG23 ' A' ' 90' ' ' THR . 15.3 mttm -90.9 113.72 25.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.662 HG22 ' HB ' ' A' ' 91' ' ' ILE . 65.2 t -92.11 116.19 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.55 130.44 44.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -140.6 -58.78 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.51 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -84.52 175.13 9.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -78.58 40.11 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 158.27 -15.34 0.27 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 t -81.73 124.07 29.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.95 0.405 . . . . 0.0 110.884 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.8 t -128.45 116.37 41.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.537 HG12 ' CE1' ' A' ' 39' ' ' PHE . 11.9 t -106.52 121.95 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -95.41 159.25 15.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.723 ' CG ' HD13 ' A' ' 50' ' ' LEU . 90.5 m-85 -149.51 126.78 11.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -108.7 107.17 17.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.5 pt -127.69 -179.69 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.43 ' HG2' ' NE2' ' A' ' 24' ' ' HIS . 82.7 mttt -91.52 167.8 11.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -75.44 -39.68 58.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -87.96 9.69 21.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.473 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 2.4 m -99.79 130.75 25.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.542 0.686 . . . . 0.0 111.184 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 140.77 43.62 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.561 HD22 HD23 ' A' ' 50' ' ' LEU . 50.9 mt -56.65 -21.01 24.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 47' ' ' LEU . 91.4 p -35.67 -50.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -65.29 -40.92 94.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.723 HD13 ' CG ' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -61.37 -57.39 12.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.419 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 2.7 mtt -53.38 -47.46 69.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -56.41 -51.07 69.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.69 -18.83 61.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.092 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.46 ' CE2' HG11 ' A' ' 93' ' ' VAL . 84.4 t80 -84.93 -33.04 22.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 45.3 m -77.57 -36.85 51.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.42 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 7.1 pt-20 -72.18 -44.01 63.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.531 ' NH1' HG13 ' A' ' 37' ' ' VAL . 49.5 ttt180 -48.1 -62.05 1.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -75.64 -49.4 18.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.52 37.19 1.21 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.522 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 mt -109.49 -179.54 3.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.822 0.344 . . . . 0.0 110.921 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.5 m -105.79 142.86 34.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.6 mtt -52.15 -48.76 64.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -63.17 -44.35 95.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -53.53 -37.27 62.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.1 pt -105.9 166.85 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -141.46 137.79 32.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.763 ' HB3' HD11 ' A' ' 74' ' ' ILE . 96.8 m-85 -101.38 158.68 15.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -160.04 153.14 21.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.486 ' CD1' ' CE ' ' A' ' 85' ' ' MET . 77.0 t80 -140.13 112.35 7.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.9 t0 68.55 24.98 6.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.11 33.92 22.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -140.97 143.33 31.1 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.611 0.72 . . . . 0.0 110.9 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 116.39 4.54 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.361 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.763 HD11 ' HB3' ' A' ' 67' ' ' PHE . 3.1 pt -101.43 150.48 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -116.02 154.21 30.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -60.19 -34.13 73.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 77.3 p -64.28 -33.95 76.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.186 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -66.82 156.99 34.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.04 158.85 35.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.534 0.683 . . . . 0.0 111.158 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.626 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.5 Cg_endo -69.82 -15.22 36.77 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.86 -22.37 27.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.072 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -72.92 -35.36 67.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.5 mt -96.65 17.63 16.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 48.1 48.45 18.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.486 ' CE ' ' CD1' ' A' ' 69' ' ' PHE . 7.5 mtt -66.61 98.56 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -62.51 172.17 1.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -75.68 143.51 42.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 62.99 26.81 15.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -66.94 -174.91 0.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.649 HG23 ' O ' ' A' ' 28' ' ' LYS . 93.2 m -138.87 128.38 24.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.662 ' HB ' HG22 ' A' ' 29' ' ' VAL . 11.1 mt -98.3 156.63 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.436 ' N ' HG22 ' A' ' 91' ' ' ILE . 76.9 m-20 -112.41 125.51 54.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.537 HG12 ' N ' ' A' ' 94' ' ' PHE . 89.6 t -145.42 159.29 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.537 ' N ' HG12 ' A' ' 93' ' ' VAL . 5.7 m-85 -121.7 114.47 21.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -91.8 106.55 18.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -87.88 130.99 34.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -98.29 105.0 17.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 61.0 p -62.78 -53.56 52.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 61.1 m -143.53 166.4 24.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -53.68 -94.73 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 97.86 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.7 2.267 . . . . 0.0 112.326 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.5 p -88.32 41.24 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 51.6 m -91.8 138.54 31.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.444 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -126.04 116.92 22.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.868 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 m -155.13 164.74 38.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.51 -165.87 25.72 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.5 p -160.97 151.17 17.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.836 0.35 . . . . 0.0 110.87 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.6 t -164.79 150.54 10.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.63 69.99 0.44 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.4 mtt -138.52 135.97 35.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.76 0.314 . . . . 0.0 110.929 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.21 39.45 2.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -76.39 86.06 3.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 12' ' ' LYS . 44.4 mt-10 -101.22 41.99 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.457 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER 35.34 53.31 1.78 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.55 0.691 . . . . 0.0 110.921 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 54.1 Cg_endo -69.73 84.12 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.692 2.262 . . . . 0.0 112.376 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -146.05 129.24 16.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -132.53 171.75 13.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 143.47 54.96 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.482 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.4 p -92.79 130.51 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.948 0.404 . . . . 0.0 111.158 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.73 -52.46 4.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.1 m -44.73 133.73 5.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -80.14 153.49 28.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -109.13 124.86 51.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -101.27 -47.94 4.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.512 ' O ' ' CG ' ' A' ' 24' ' ' HIS . 28.2 t0 -161.96 126.94 3.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 23' ' ' ASP . 8.3 m-70 -161.93 169.23 21.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.719 HG22 ' O ' ' A' ' 86' ' ' GLU . 5.9 pt -124.91 152.97 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -117.2 108.88 16.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.632 ' CD1' HD11 ' A' ' 91' ' ' ILE . 2.9 mt -103.16 128.04 50.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -91.71 112.95 25.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.741 HG22 ' HB ' ' A' ' 91' ' ' ILE . 61.3 t -90.46 129.03 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.112 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.95 146.13 37.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -148.59 -177.62 23.0 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 33' ' ' ASP . 1.4 mp0 -71.83 -51.79 20.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 0.0 110.926 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 32' ' ' GLN . 10.8 m-20 -37.03 -40.89 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.65 30.79 6.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.528 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.5 m -126.32 95.42 4.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.386 . . . . 0.0 110.874 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.7 t -59.91 125.28 15.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.64 HG12 ' CE1' ' A' ' 39' ' ' PHE . 21.7 t -113.42 122.66 67.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.114 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -98.36 163.04 12.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.795 ' CG ' HD13 ' A' ' 50' ' ' LEU . 96.5 m-85 -153.2 138.14 17.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -113.35 106.83 15.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.5 pt -129.81 178.74 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -94.5 166.89 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.563 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 52.9 mtm180 -71.0 -40.77 71.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -86.28 -4.9 59.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.443 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 3.4 m -83.87 127.94 65.21 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.704 . . . . 0.0 111.155 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 140.17 41.91 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.64 HD22 HD23 ' A' ' 50' ' ' LEU . 59.0 mt -58.09 -15.1 8.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 47' ' ' LEU . 68.6 p -35.75 -59.24 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -58.82 -47.26 85.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.795 HD13 ' CG ' ' A' ' 39' ' ' PHE . 1.2 tp -51.08 -57.26 9.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.466 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 2.7 mtt -52.31 -48.92 65.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -56.0 -53.3 58.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.7 -23.65 59.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.08 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.542 ' CE2' HG11 ' A' ' 93' ' ' VAL . 82.8 t80 -81.28 -38.81 26.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.4 ' SG ' ' N ' ' A' ' 56' ' ' GLU . 3.0 p -76.21 -40.16 52.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.4 ' N ' ' SG ' ' A' ' 55' ' ' CYS . 4.9 pt-20 -70.69 -41.65 71.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -50.28 -53.97 24.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -80.59 -47.52 14.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.35 27.09 2.73 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.0 mt -100.89 -179.77 4.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.0 m -108.91 155.05 21.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.3 mtt -74.03 -28.29 61.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -80.73 -3.41 50.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -103.25 -37.14 7.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 27.0 pt -100.22 173.12 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 -147.62 136.05 21.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.783 ' HB3' HD11 ' A' ' 74' ' ' ILE . 92.5 m-85 -99.59 152.43 20.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -159.75 147.63 17.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.595 ' CE1' ' HE2' ' A' ' 85' ' ' MET . 29.9 t80 -137.21 116.12 12.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.9 t70 64.24 28.98 13.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.846 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.49 37.6 46.48 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.519 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -136.27 139.91 31.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.602 0.715 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 114.97 3.88 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.746 2.297 . . . . 0.0 112.31 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.783 HD11 ' HB3' ' A' ' 67' ' ' PHE . 15.3 pt -106.66 153.54 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -127.64 155.06 44.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.413 ' HB2' ' CB ' ' A' ' 48' ' ' SER . 6.6 pt-20 -54.97 -33.04 62.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 61.1 p -68.38 -33.05 73.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -63.66 172.57 2.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.5 p -128.27 158.84 70.05 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.551 0.691 . . . . 0.0 111.134 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.492 ' HB2' ' CD1' ' A' ' 25' ' ' ILE . 54.3 Cg_endo -69.72 -28.5 25.35 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.675 2.25 . . . . 0.0 112.353 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.563 ' HB2' ' HB3' ' A' ' 43' ' ' ARG . . . -74.69 -20.93 59.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.057 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -77.13 -33.47 56.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.556 HD21 HG22 ' A' ' 74' ' ' ILE . 5.8 mt -85.07 9.59 14.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 65.91 44.33 2.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.595 ' HE2' ' CE1' ' A' ' 69' ' ' PHE . 16.3 mtt -86.66 137.53 32.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.719 ' O ' HG22 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -116.49 -62.89 1.52 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 89' ' ' ASP . 30.7 t70 -175.47 170.69 2.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 39.32 25.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 87' ' ' ASP . 24.0 m-20 -62.06 -175.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.7 m -138.68 126.56 22.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.741 ' HB ' HG22 ' A' ' 29' ' ' VAL . 6.0 mt -106.06 146.37 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -107.92 121.01 43.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.542 HG11 ' CE2' ' A' ' 54' ' ' TYR . 61.9 t -140.85 141.55 31.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -106.66 109.77 21.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -88.91 113.42 24.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -97.25 146.04 25.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -120.44 -44.52 2.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 99' ' ' SER . 6.3 m 48.76 46.84 21.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 98' ' ' THR . 95.5 p 36.97 38.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -68.49 -158.19 1.28 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.532 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 170.53 16.3 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.689 2.259 . . . . 0.0 112.338 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.9 t -96.96 121.5 38.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 37.9 t -83.9 -42.55 16.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 -179.956 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -160.61 161.24 32.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.907 0.384 . . . . 0.0 110.822 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.9 m -153.61 147.08 24.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.58 -155.53 14.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.532 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 t -139.2 171.43 14.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.825 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 m -48.97 173.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.95 55.41 0.21 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.456 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.7 mtt -126.39 149.62 49.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.819 0.342 . . . . 0.0 110.831 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.71 166.16 16.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.67 -36.5 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -71.02 -31.78 68.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.497 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -42.32 -60.25 2.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.569 0.7 . . . . 0.0 110.883 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 53.7 Cg_endo -69.71 112.94 3.21 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.637 2.224 . . . . 0.0 112.381 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -174.79 141.26 0.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -163.21 151.81 14.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -174.74 67.5 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.4 t -99.44 131.02 47.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 111.116 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.41 ' HD2' ' C ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -162.33 172.37 15.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.4 t -136.47 157.74 46.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -146.61 163.28 36.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -101.25 101.95 12.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -171.03 164.54 7.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -79.5 102.64 8.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -145.28 168.45 20.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.652 HD11 ' HB2' ' A' ' 80' ' ' PRO . 23.6 pt -128.68 136.53 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -100.08 117.97 35.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.7 ' CD1' HD11 ' A' ' 91' ' ' ILE . 2.7 mt -110.48 124.52 51.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -91.04 110.82 22.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.799 HG22 ' HB ' ' A' ' 91' ' ' ILE . 21.5 t -90.17 134.76 28.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.58 122.08 43.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -158.86 -53.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.428 ' CD ' ' HB3' ' A' ' 35' ' ' SER . 12.0 mt-30 -45.08 170.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.797 0.332 . . . . 0.0 110.932 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -86.28 26.82 0.99 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 145.79 33.6 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.428 ' HB3' ' CD ' ' A' ' 32' ' ' GLN . 8.8 t -146.46 133.64 20.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.936 0.398 . . . . 0.0 110.866 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 77.0 t -106.11 131.55 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.7 t -109.2 122.11 63.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -101.04 156.91 17.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.627 ' CB ' HD13 ' A' ' 50' ' ' LEU . 92.1 m-85 -146.98 131.46 17.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -108.37 108.16 19.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.3 pt -130.15 -179.13 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -96.0 171.1 8.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -75.53 -40.39 57.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -85.66 -2.27 58.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.751 HG23 ' HE3' ' A' ' 49' ' ' LYS . 17.5 m -85.31 126.76 66.24 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.554 0.692 . . . . 0.0 111.166 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 132.49 23.5 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.682 2.255 . . . . 0.0 112.369 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.63 HD22 HD23 ' A' ' 50' ' ' LEU . 85.9 mt -44.13 -23.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' LEU . 9.5 t -34.56 -54.97 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.751 ' HE3' HG23 ' A' ' 45' ' ' THR . 13.1 mtmm -61.51 -43.5 98.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.914 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.63 HD23 HD22 ' A' ' 47' ' ' LEU . 2.6 tp -57.24 -54.6 44.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.411 ' HB2' ' CE ' ' A' ' 62' ' ' MET . 1.8 mtt -58.25 -51.95 67.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.2 mtpp -52.45 -34.65 49.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.29 -23.49 59.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.08 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.439 ' OH ' ' NE2' ' A' ' 95' ' ' GLN . 1.6 t80 -78.27 -48.43 15.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 9.9 p -60.45 -40.04 89.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.511 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 4.7 pt-20 -68.21 -48.74 64.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.511 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 10.9 ttm-85 -42.21 -48.75 4.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -93.03 -18.68 22.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.78 21.7 49.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.471 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.2 mt -96.39 -176.49 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.815 0.341 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.7 t -103.2 139.9 38.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.411 ' CE ' ' HB2' ' A' ' 51' ' ' MET . 35.8 mmm -51.06 -51.17 55.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -61.95 -35.92 79.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -56.78 -42.19 78.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.602 HG22 ' CB ' ' A' ' 95' ' ' GLN . 46.7 pt -100.71 152.02 5.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.455 ' HD3' ' N ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -112.14 155.02 24.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.611 ' HA ' HG22 ' A' ' 93' ' ' VAL . 51.8 m-85 -125.75 151.05 47.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 92' ' ' ASP . 27.6 mtt180 -152.14 158.94 43.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.453 ' CD2' ' HE3' ' A' ' 85' ' ' MET . 25.0 t80 -148.36 108.62 4.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.0 t70 68.3 27.89 6.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.46 33.49 31.36 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 69' ' ' PHE . 1.8 pt20 -142.24 144.0 29.67 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 0.0 110.954 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 122.75 9.42 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.74 2.293 . . . . 0.0 112.302 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.452 HD11 ' HB3' ' A' ' 67' ' ' PHE . 1.9 pt -105.75 152.6 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -122.22 161.03 24.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -64.44 -29.29 70.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 58.5 p -68.85 -44.29 73.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.55 146.43 25.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.04 157.76 33.54 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.59 0.71 . . . . 0.0 111.138 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.652 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.4 Cg_endo -69.81 -10.72 29.2 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.24 . . . . 0.0 112.336 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -90.73 -25.07 20.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -71.39 -34.63 70.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.4 mt -93.3 7.51 44.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 59.83 43.55 14.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.453 ' HE3' ' CD2' ' A' ' 69' ' ' PHE . 7.3 mtp -67.96 106.41 2.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 10.5 pt-20 -90.4 165.35 13.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -59.08 148.33 31.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 65.41 37.21 6.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 86' ' ' GLU . 27.8 m-20 -80.74 -176.17 5.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 88.7 m -144.51 120.28 10.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.799 ' HB ' HG22 ' A' ' 29' ' ' VAL . 2.8 mt -99.65 148.03 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 68' ' ' ARG . 0.9 OUTLIER -105.51 120.73 42.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.611 HG22 ' HA ' ' A' ' 67' ' ' PHE . 14.4 t -142.41 155.01 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.459 ' N ' ' CG1' ' A' ' 93' ' ' VAL . 1.5 m-85 -139.79 109.41 6.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.602 ' CB ' HG22 ' A' ' 65' ' ' ILE . 7.6 pm0 -121.21 142.63 49.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -97.26 145.02 26.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -66.03 155.15 37.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.973 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 76.8 p -118.7 172.88 7.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.147 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 59.5 p -43.66 131.51 5.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 107.39 137.01 8.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.525 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 146.88 61.91 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.737 2.291 . . . . 0.0 112.363 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 72.8 m -142.86 151.52 41.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 34.7 p -169.51 124.48 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.518 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.3 p -170.55 138.12 1.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.931 0.396 . . . . 0.0 110.797 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 m -150.54 151.37 32.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.885 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.75 96.87 0.27 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -138.24 128.91 26.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.899 0.38 . . . . 0.0 110.879 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 m -120.77 -54.27 2.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.86 65.63 2.79 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.7 tpt -62.88 105.4 0.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.832 0.349 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.23 -57.28 3.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.104 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.3 t0 59.22 40.88 21.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -99.45 -42.12 7.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.492 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 2.6 mmmp? -37.17 -60.05 0.89 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.605 0.717 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 54.1 Cg_endo -69.77 109.75 2.39 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.3 pttt -172.0 138.62 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -163.83 145.2 8.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.74 91.71 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.455 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.545 HG13 ' HG2' ' A' ' 18' ' ' LYS . 8.2 p -71.0 -29.38 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.545 ' HG2' HG13 ' A' ' 17' ' ' VAL . 11.6 ptmt -156.62 150.11 24.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.528 HG23 ' O ' ' A' ' 19' ' ' THR . 11.9 t -132.03 40.16 3.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.14 -61.28 2.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -139.13 177.27 8.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -124.08 75.81 1.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -115.37 31.18 6.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -103.74 155.57 18.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.441 HD11 ' HB2' ' A' ' 80' ' ' PRO . 13.1 pt -113.57 154.97 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.584 ' C ' HD23 ' A' ' 27' ' ' LEU . 15.5 m-20 -116.48 131.95 56.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.911 ' CD1' HD11 ' A' ' 91' ' ' ILE . 2.2 mt -119.8 130.86 55.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -94.64 116.36 28.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.443 HG22 ' HB ' ' A' ' 91' ' ' ILE . 19.9 t -94.96 123.5 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.93 124.29 51.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.121 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -130.2 -14.11 2.05 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -140.79 163.0 34.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -79.1 39.15 0.37 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -179.24 -26.98 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.496 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.3 m -92.72 136.73 32.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.925 0.393 . . . . 0.0 110.843 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.527 HG12 ' OE1' ' A' ' 38' ' ' GLN . 55.9 t -143.44 120.17 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.472 HG12 ' CE1' ' A' ' 39' ' ' PHE . 5.4 t -115.58 124.04 71.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.527 ' OE1' HG12 ' A' ' 36' ' ' VAL . 0.9 OUTLIER -97.24 164.34 12.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.712 ' CB ' HD13 ' A' ' 50' ' ' LEU . 70.5 m-85 -154.25 136.59 14.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.426 ' C ' ' HD2' ' A' ' 40' ' ' LYS . 0.5 OUTLIER -117.99 133.91 55.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.9 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.6 pt -147.74 -178.74 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -93.44 153.84 18.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.7 mtp85 -61.27 -31.36 71.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -96.66 4.78 51.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.9 m -95.7 129.91 33.22 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.599 0.714 . . . . 0.0 111.117 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 151.02 68.83 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.724 2.283 . . . . 0.0 112.324 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.761 HD22 HD23 ' A' ' 50' ' ' LEU . 44.6 mt -68.53 -11.68 60.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 p -41.72 -41.1 2.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.819 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -77.5 -47.99 18.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.761 HD23 HD22 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -50.35 -51.41 45.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.493 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 16.9 mtt -56.47 -53.4 57.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -52.19 -50.39 61.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.9 -22.49 59.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.124 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.648 ' CE2' HG11 ' A' ' 93' ' ' VAL . 77.7 t80 -87.44 -22.77 24.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.6 p -87.16 -34.1 19.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 5.8 pt-20 -70.99 -45.68 63.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.457 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 9.9 ttt-85 -46.28 -51.14 15.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.42 ' HG3' ' NE2' ' A' ' 95' ' ' GLN . 57.4 mm-40 -86.73 -30.0 21.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.85 32.94 7.66 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -102.05 175.13 5.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.844 0.354 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 m -94.98 136.85 34.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.433 ' CE ' ' HB2' ' A' ' 51' ' ' MET . 2.7 ttt -50.65 -49.21 57.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.5 ptp85 -65.68 -20.89 66.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -74.69 -37.38 62.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.2 pt -101.35 155.25 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.8 tpp180 -126.5 144.83 50.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.688 ' HB3' HD11 ' A' ' 74' ' ' ILE . 16.2 m-85 -114.66 142.57 46.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.413 ' HE ' ' CB ' ' A' ' 92' ' ' ASP . 25.8 ptt180 -151.27 143.77 24.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.545 ' CE1' ' CG ' ' A' ' 70' ' ' ASP . 6.9 t80 -131.09 131.05 43.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.545 ' CG ' ' CE1' ' A' ' 69' ' ' PHE . 5.0 m-20 63.58 29.89 15.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.14 27.61 59.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -138.57 142.83 35.82 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 110.875 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 111.83 2.91 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.683 2.256 . . . . 0.0 112.342 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.688 HD11 ' HB3' ' A' ' 67' ' ' PHE . 2.3 pt -93.11 146.12 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -105.87 157.25 17.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -60.59 -37.18 80.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 77.6 p -62.6 -42.82 99.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.166 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -55.16 147.09 17.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.94 160.8 24.88 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.574 0.702 . . . . 0.0 111.157 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.441 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.9 Cg_endo -69.74 -23.93 30.33 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.82 -25.27 48.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -71.7 -37.13 70.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 mt -96.49 26.05 4.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 40.16 49.76 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.4 mtt -66.6 119.56 11.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -88.66 177.31 6.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -78.52 150.35 32.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 57.35 29.79 17.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.444 ' HB3' HD22 ' A' ' 27' ' ' LEU . 5.0 t70 -66.16 -175.97 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.0 m -140.51 120.5 13.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.911 HD11 ' CD1' ' A' ' 27' ' ' LEU . 3.2 mt -100.49 146.1 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.413 ' CB ' ' HE ' ' A' ' 68' ' ' ARG . 5.5 m-20 -105.73 123.64 48.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.648 HG11 ' CE2' ' A' ' 54' ' ' TYR . 74.1 t -139.44 146.59 25.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 94' ' ' PHE . 4.1 m-85 -105.11 113.95 27.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.42 ' NE2' ' HG3' ' A' ' 58' ' ' GLN . 25.0 mt-30 -90.48 110.11 21.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -103.9 119.01 38.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -122.49 162.89 20.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.0 t -116.89 143.84 45.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.403 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 40.9 m 54.85 40.67 32.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.57 84.89 0.41 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 99' ' ' SER . 53.7 Cg_endo -69.79 0.92 4.97 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 2.248 . . . . 0.0 112.344 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.1 m -65.83 127.14 30.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.2 m -138.01 141.66 40.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.931 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.561 ' CE1' ' HG2' ' A' ' 42' ' ' LYS . 17.4 m-70 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.767 0.318 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 32.1 pt -116.79 145.74 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -112.81 132.19 55.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.649 HD12 HD11 ' A' ' 91' ' ' ILE . 2.2 mt -119.51 132.6 55.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.625 ' O ' HG23 ' A' ' 90' ' ' THR . 18.9 mtmt -91.04 112.96 25.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.66 HG22 ' HB ' ' A' ' 91' ' ' ILE . 54.7 t -90.99 128.71 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.115 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.095 179.851 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.9 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.885 0.374 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.2 t -108.1 122.47 62.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -90.59 161.54 15.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.609 ' CG ' HD13 ' A' ' 50' ' ' LEU . 95.8 m-85 -151.64 125.34 9.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -104.99 111.95 24.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.0 pt -133.71 179.59 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.561 ' HG2' ' CE1' ' A' ' 24' ' ' HIS . 29.1 mttp -94.57 158.44 15.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.638 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 7.8 ptp180 -72.57 -18.26 61.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.41 ' CD2' ' H ' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -112.24 35.62 3.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.613 HG23 ' HD2' ' A' ' 46' ' ' PRO . 51.7 m -128.06 137.17 30.25 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.595 0.712 . . . . 0.0 111.108 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.613 ' HD2' HG23 ' A' ' 45' ' ' THR . 53.5 Cg_endo -69.74 128.91 16.72 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.604 HD22 HD23 ' A' ' 50' ' ' LEU . 62.4 mt -48.29 -19.44 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 47' ' ' LEU . 88.2 p -34.68 -58.5 0.5 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -48.27 81.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.609 HD13 ' CG ' ' A' ' 39' ' ' PHE . 1.3 tp -53.35 -58.94 5.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.964 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.431 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 4.0 mtt -52.0 -59.73 4.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -41.35 -50.1 3.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.87 -36.47 79.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.023 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.556 ' CE2' HG11 ' A' ' 93' ' ' VAL . 86.1 t80 -61.73 -29.4 70.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 59' ' ' GLY . 85.5 m -77.51 -60.07 2.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 57' ' ' ARG . 7.4 pt-20 -47.42 -41.31 19.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.454 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 47.3 ttt85 -53.28 -50.15 65.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.476 ' HG3' ' NE2' ' A' ' 95' ' ' GLN . 79.1 mm-40 -95.77 -0.38 51.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 63.7 31.51 81.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.2 mt -100.86 -175.85 3.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.8 t -115.48 138.65 50.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.6 ttm -48.64 -42.34 34.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.9 mtm105 -64.36 -55.17 22.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -46.33 -43.62 16.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.9 pt -99.47 172.8 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -145.62 146.65 31.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.929 ' HB3' HD11 ' A' ' 74' ' ' ILE . 96.1 m-85 -108.94 158.46 17.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -160.67 155.21 23.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.494 ' CD1' ' HE3' ' A' ' 85' ' ' MET . 88.3 t80 -140.84 111.09 6.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.3 t70 68.94 25.53 6.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.89 34.93 26.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -140.8 145.44 39.87 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.583 0.706 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 118.83 5.91 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.929 HD11 ' HB3' ' A' ' 67' ' ' PHE . 3.2 pt -104.71 145.8 12.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.199 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -113.18 133.77 54.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -41.37 -35.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 68.1 p -60.43 -44.31 95.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.31 157.12 6.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.507 HG22 ' C ' ' A' ' 45' ' ' THR . 0.8 OUTLIER -113.75 159.92 33.95 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.582 0.706 . . . . 0.0 111.162 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.44 ' CD ' ' O ' ' A' ' 45' ' ' THR . 53.9 Cg_endo -69.7 -14.1 35.77 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.387 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 43' ' ' ARG . . . -86.14 -27.68 24.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.054 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -71.87 -37.17 70.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 21.3 mt -87.75 3.91 46.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 62.5 39.18 11.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.494 ' HE3' ' CD1' ' A' ' 69' ' ' PHE . 7.6 mtt -62.24 107.27 0.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.7 mp0 -77.61 179.42 6.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -79.48 145.11 33.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.84 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 62.51 40.29 10.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -85.59 -175.63 5.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.625 HG23 ' O ' ' A' ' 28' ' ' LYS . 25.6 m -138.31 133.46 33.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.152 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.66 ' HB ' HG22 ' A' ' 29' ' ' VAL . 17.0 mt -98.24 157.97 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.48 ' N ' HG22 ' A' ' 91' ' ' ILE . 1.0 OUTLIER -110.23 120.78 43.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.556 HG11 ' CE2' ' A' ' 54' ' ' TYR . 60.8 t -145.69 153.78 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.431 ' N ' HG12 ' A' ' 93' ' ' VAL . 6.8 m-85 -118.25 110.21 17.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.476 ' NE2' ' HG3' ' A' ' 58' ' ' GLN . 15.0 mt-30 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.747 0.308 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.566 HG21 ' HE ' ' A' ' 43' ' ' ARG . 49.6 pt -130.28 144.74 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -110.87 128.23 55.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.752 HD12 HD11 ' A' ' 91' ' ' ILE . 6.1 mt -115.95 133.07 56.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.7 ' O ' HG23 ' A' ' 90' ' ' THR . 6.2 mtmp? -90.92 113.03 25.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.454 HG11 ' CE1' ' A' ' 54' ' ' TYR . 16.7 t -89.9 117.1 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.149 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.88 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 85.8 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.866 0.365 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.508 HG12 ' CE1' ' A' ' 39' ' ' PHE . 13.5 t -128.15 122.67 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.4 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 26.3 mt-30 -92.37 163.32 13.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.674 ' CG ' HD13 ' A' ' 50' ' ' LEU . 88.9 m-85 -153.72 123.36 6.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -103.57 109.45 21.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.6 pt -133.4 178.52 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -90.76 168.62 11.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.566 ' HE ' HG21 ' A' ' 25' ' ' ILE . 19.2 mmt85 -77.57 -34.41 53.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -98.29 37.98 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.577 ' C ' HG22 ' A' ' 79' ' ' THR . 30.4 m -126.35 134.66 26.21 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.587 0.708 . . . . 0.0 111.149 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.494 ' HD2' HG23 ' A' ' 45' ' ' THR . 53.6 Cg_endo -69.8 129.83 18.24 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.664 2.243 . . . . 0.0 112.362 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.681 HD22 HD23 ' A' ' 50' ' ' LEU . 54.0 mt -51.98 -16.46 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 47' ' ' LEU . 3.2 p -36.4 -40.79 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -77.11 -41.64 41.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.681 HD23 HD22 ' A' ' 47' ' ' LEU . 1.1 tp -58.95 -53.61 56.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.486 ' C ' ' HE1' ' A' ' 62' ' ' MET . 1.8 mtt -59.01 -54.54 45.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.455 ' N ' ' HE1' ' A' ' 62' ' ' MET . 37.7 mttt -51.02 -44.91 61.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.83 -23.0 67.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.665 ' CE2' HG11 ' A' ' 93' ' ' VAL . 68.8 t80 -80.06 -46.18 16.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 15.3 p -68.5 -37.52 80.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 6.0 pt-20 -69.45 -45.53 68.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.457 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 18.8 ttt-85 -42.57 -50.41 5.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -87.73 -45.31 10.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.28 32.96 2.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.586 HD11 ' OE1' ' A' ' 95' ' ' GLN . 3.0 mt -100.27 173.69 6.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.82 0.343 . . . . 0.0 110.936 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.0 m -88.59 137.67 32.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.823 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.486 ' HE1' ' C ' ' A' ' 51' ' ' MET . 0.3 OUTLIER -60.81 -24.82 66.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.4 ptt-85 -82.04 -24.87 35.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -76.58 -41.59 45.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.617 HG22 ' HA ' ' A' ' 95' ' ' GLN . 2.6 pp -104.03 160.59 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.448 ' O ' HG13 ' A' ' 93' ' ' VAL . 38.0 mmt-85 -140.36 167.91 21.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.446 ' CZ ' ' HA ' ' A' ' 51' ' ' MET . 21.8 m-85 -123.1 154.49 38.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -151.45 157.6 42.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -145.55 121.51 10.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.1 t0 58.52 30.28 19.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.78 33.34 42.43 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.457 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -142.31 142.16 23.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.602 0.715 . . . . 0.0 110.937 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 118.01 5.42 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.683 2.256 . . . . 0.0 112.342 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.504 HG22 HD11 ' A' ' 83' ' ' LEU . 2.4 pt -100.15 147.3 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -110.85 154.86 23.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -62.02 -39.54 92.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 82.4 p -60.33 -29.54 68.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.62 158.42 36.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.831 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.577 HG22 ' C ' ' A' ' 45' ' ' THR . 0.8 OUTLIER -114.77 159.86 35.67 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.638 0.732 . . . . 0.0 111.136 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.462 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.9 Cg_endo -69.69 -17.49 37.88 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.701 2.268 . . . . 0.0 112.358 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.08 -26.08 31.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.07 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -72.92 -31.73 64.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.504 HD11 HG22 ' A' ' 74' ' ' ILE . 11.4 mt -98.82 19.75 14.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 47.16 40.75 10.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.9 mtt -61.57 99.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 54.4 mt-10 -74.79 166.62 23.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -67.36 165.58 16.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 50.23 28.65 3.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.532 ' HB2' HD22 ' A' ' 27' ' ' LEU . 5.7 m-20 -75.32 -175.74 2.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.7 HG23 ' O ' ' A' ' 28' ' ' LYS . 96.9 m -147.07 126.92 13.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.166 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.752 HD11 HD12 ' A' ' 27' ' ' LEU . 7.9 mt -98.23 153.8 3.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.145 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -112.42 120.75 42.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.665 HG11 ' CE2' ' A' ' 54' ' ' TYR . 53.5 t -135.23 151.68 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.512 ' O ' HG22 ' A' ' 65' ' ' ILE . 5.6 m-85 -114.33 109.45 18.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.617 ' HA ' HG22 ' A' ' 65' ' ' ILE . 19.4 mt-30 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.421 ' CE1' ' HG2' ' A' ' 42' ' ' LYS . 40.6 m-70 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.743 0.306 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.0 pt -127.86 148.77 32.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -116.55 130.85 56.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.677 ' HB2' HD11 ' A' ' 91' ' ' ILE . 3.6 mt -116.58 131.51 56.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.444 ' O ' HG23 ' A' ' 90' ' ' THR . 23.6 mtmt -91.03 111.57 23.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.818 HG22 HD12 ' A' ' 91' ' ' ILE . 7.5 t -90.11 125.12 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.12 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.879 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.9 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.824 0.345 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.604 HG12 ' CE1' ' A' ' 39' ' ' PHE . 23.7 t -107.89 122.37 62.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -91.41 162.18 14.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.637 ' CG ' HD13 ' A' ' 50' ' ' LEU . 91.3 m-85 -152.81 122.5 6.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.1 tttm -105.12 110.06 22.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.7 pt -132.5 177.14 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.421 ' HG2' ' CE1' ' A' ' 24' ' ' HIS . 34.2 mttp -89.11 157.31 18.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.0 mtp180 -63.7 -38.74 92.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.51 ' CG ' ' O ' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -95.43 41.23 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.647 ' C ' HG22 ' A' ' 79' ' ' THR . 3.2 m -123.77 133.25 24.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.591 0.71 . . . . 0.0 111.109 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.402 ' C ' ' N ' ' A' ' 48' ' ' SER . 54.0 Cg_endo -69.72 122.19 8.88 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.506 HD22 HD23 ' A' ' 50' ' ' LEU . 72.4 mt -44.54 -22.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 47' ' ' LEU . 46.5 t -34.32 -61.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -54.65 -46.76 74.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.637 HD13 ' CG ' ' A' ' 39' ' ' PHE . 2.8 tp -55.56 -57.73 10.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.494 ' O ' ' N ' ' A' ' 54' ' ' TYR . 2.3 mtt -55.1 -66.38 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' MET . 42.7 mttt -38.12 -46.62 1.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.64 -36.89 85.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.537 ' CE2' HG11 ' A' ' 93' ' ' VAL . 87.5 t80 -58.52 -29.61 66.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 59' ' ' GLY . 86.3 m -77.21 -57.37 3.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.839 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.407 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 5.2 pt-20 -53.3 -42.38 66.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.428 ' HD3' HG11 ' A' ' 37' ' ' VAL . 50.7 ttt180 -51.41 -49.67 61.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -99.35 5.04 46.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 56.61 35.92 69.1 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.483 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 75.5 mt -98.6 178.73 4.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.856 0.36 . . . . 0.0 110.934 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.2 m -102.19 131.1 48.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.2 tpt -52.86 -55.61 21.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.47 -40.03 81.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.851 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -60.6 -35.03 75.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.5 pt -103.3 168.21 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.494 ' O ' HG13 ' A' ' 93' ' ' VAL . 31.9 mmt-85 -144.41 155.45 43.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.846 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.858 ' HB3' HD11 ' A' ' 74' ' ' ILE . 95.0 m-85 -117.07 152.15 35.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -154.45 157.0 37.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -144.09 129.78 19.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.4 t0 50.59 26.5 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.59 36.01 30.89 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -140.22 145.41 41.49 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.609 0.719 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 116.12 4.41 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.718 2.279 . . . . 0.0 112.326 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.858 HD11 ' HB3' ' A' ' 67' ' ' PHE . 9.6 pt -100.84 155.77 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -122.42 150.04 43.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -58.75 -33.39 70.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.7 p -67.86 -27.36 66.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -72.63 156.54 38.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.647 HG22 ' C ' ' A' ' 45' ' ' THR . 0.9 OUTLIER -114.71 159.63 36.45 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.637 0.732 . . . . 0.0 111.117 -179.887 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.446 ' CD ' ' O ' ' A' ' 45' ' ' THR . 53.5 Cg_endo -69.76 -15.14 36.94 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.721 2.281 . . . . 0.0 112.282 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.68 -23.87 27.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.086 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -76.02 -32.96 59.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.0 mt -95.51 7.59 45.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 60.66 36.22 19.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 7.1 mtt -57.42 99.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -71.69 177.41 4.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -77.42 152.82 34.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 59.19 27.16 16.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.456 ' HB3' HD22 ' A' ' 27' ' ' LEU . 17.3 t70 -72.2 173.57 8.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 28' ' ' LYS . 33.5 m -131.61 129.84 41.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.818 HD12 HG22 ' A' ' 29' ' ' VAL . 13.0 mt -98.35 152.83 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -106.01 120.71 42.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.537 HG11 ' CE2' ' A' ' 54' ' ' TYR . 59.4 t -144.13 143.47 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -109.69 109.45 20.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.885 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.426 ' CE1' ' HE3' ' A' ' 42' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.763 0.316 . . . . 0.0 110.869 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.65 HD11 ' HB2' ' A' ' 80' ' ' PRO . 39.8 pt -125.71 140.68 47.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.509 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -89.1 139.09 30.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.625 ' CD1' HD11 ' A' ' 91' ' ' ILE . 3.5 mt -135.22 121.95 20.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.491 ' O ' HG23 ' A' ' 90' ' ' THR . 22.2 mtmt -92.05 111.72 23.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.782 HG22 ' HB ' ' A' ' 91' ' ' ILE . 11.7 t -92.01 134.59 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.838 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.4 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.883 0.373 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.5 t -107.51 122.1 61.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -95.52 152.64 18.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.512 ' CG ' HD13 ' A' ' 50' ' ' LEU . 72.6 m-85 -140.64 126.06 18.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.9 tttt -106.84 102.11 11.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.3 pt -122.25 171.68 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.426 ' HE3' ' CE1' ' A' ' 24' ' ' HIS . 16.3 mtpt -79.46 139.79 37.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.491 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 1.2 ppt_? -58.11 -20.62 41.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.417 ' NE2' ' HD3' ' A' ' 42' ' ' LYS . 2.6 p-80 -103.98 1.57 31.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.407 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 1.8 m -93.22 131.8 32.07 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 111.147 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 132.06 22.59 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.669 2.246 . . . . 0.0 112.374 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.573 HD22 HD23 ' A' ' 50' ' ' LEU . 36.4 mt -46.59 -20.6 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' LEU . 79.9 p -34.36 -54.62 0.52 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -65.36 -46.3 80.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.573 HD23 HD22 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -53.16 -58.03 8.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.963 179.849 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.444 ' C ' ' HE1' ' A' ' 62' ' ' MET . 2.6 mtt -52.73 -52.05 57.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.466 ' N ' ' HE1' ' A' ' 62' ' ' MET . 10.8 mtpp -53.69 -32.9 53.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.13 -25.35 42.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.618 ' CE1' HG11 ' A' ' 93' ' ' VAL . 55.1 t80 -80.18 -36.68 34.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 16.0 p -75.18 -35.3 61.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -75.2 -41.56 57.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -49.66 -48.96 49.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -87.22 -46.29 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.63 28.3 3.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 mt -101.33 172.86 6.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.342 . . . . 0.0 110.95 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.9 t -96.19 146.67 24.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.466 ' HE1' ' N ' ' A' ' 52' ' ' LYS . 3.6 mmt -59.27 -42.47 91.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -30.02 69.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -70.23 -38.74 75.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.541 HG22 ' O ' ' A' ' 94' ' ' PHE . 37.7 pt -102.95 158.92 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.3 mmt-85 -138.16 128.11 25.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.713 ' HB3' HD11 ' A' ' 74' ' ' ILE . 77.6 m-85 -90.62 148.01 22.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -150.43 155.28 39.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.455 ' CG ' ' HE3' ' A' ' 85' ' ' MET . 78.4 t80 -145.68 108.49 4.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.2 t70 72.83 26.42 2.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.32 35.24 34.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.502 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -140.56 142.87 30.51 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.64 0.733 . . . . 0.0 110.919 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 120.43 7.23 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.652 2.235 . . . . 0.0 112.355 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.713 HD11 ' HB3' ' A' ' 67' ' ' PHE . 6.6 pt -105.62 144.35 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -116.29 147.21 41.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -49.7 -41.99 44.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.3 p -54.77 -42.61 71.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -63.13 145.47 55.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.64 160.53 26.25 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.556 0.693 . . . . 0.0 111.198 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.65 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.7 Cg_endo -69.71 -17.78 37.6 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 43' ' ' ARG . . . -83.38 -30.12 27.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.47 -40.7 93.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 mt -84.44 5.38 27.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 60.93 43.47 11.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.455 ' HE3' ' CG ' ' A' ' 69' ' ' PHE . 10.7 mtp -71.57 106.68 4.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 16.3 pt-20 -84.76 167.58 15.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -61.42 146.68 47.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 67.47 36.55 3.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 86' ' ' GLU . 17.8 m-20 -81.16 -176.15 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.838 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 28' ' ' LYS . 96.6 m -140.68 126.48 19.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.782 ' HB ' HG22 ' A' ' 29' ' ' VAL . 6.8 mt -100.17 145.55 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -105.84 121.41 43.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.618 HG11 ' CE1' ' A' ' 54' ' ' TYR . 91.3 t -141.66 151.58 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.541 ' O ' HG22 ' A' ' 65' ' ' ILE . 40.0 m-85 -112.31 112.08 23.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.948 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.814 0.34 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.563 HD12 ' HB3' ' A' ' 85' ' ' MET . 5.7 pt -119.2 151.48 21.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -116.22 130.26 56.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.787 HD12 HD11 ' A' ' 91' ' ' ILE . 2.7 mt -118.3 131.18 56.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.3 mttt -93.55 116.71 29.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.774 HG22 ' HB ' ' A' ' 91' ' ' ILE . 45.0 t -94.08 131.78 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.817 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.2 t . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.817 0.341 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.8 t -111.19 123.36 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -94.16 159.35 15.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.576 ' CG ' HD13 ' A' ' 50' ' ' LEU . 93.3 m-85 -150.35 127.86 11.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.7 tttp -110.97 110.62 21.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.8 pt -129.85 178.13 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.142 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -88.15 159.04 18.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.612 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 13.2 ptt180 -72.69 -13.41 61.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -113.66 19.35 16.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.4 m -111.01 132.11 21.83 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 111.132 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 131.74 21.86 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.682 HD22 HD23 ' A' ' 50' ' ' LEU . 27.0 mt -49.41 -19.28 0.5 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.957 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 47' ' ' LEU . 89.8 p -35.5 -52.6 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -66.97 -41.16 87.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.682 HD23 HD22 ' A' ' 47' ' ' LEU . 0.8 OUTLIER -56.5 -57.18 13.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.492 ' HB3' ' CZ ' ' A' ' 67' ' ' PHE . 3.6 mtt -53.78 -57.76 9.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -43.19 -56.21 3.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.91 -38.24 64.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.111 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.466 ' CE1' HG11 ' A' ' 93' ' ' VAL . 59.4 t80 -67.46 -23.9 65.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 78.9 m -85.63 -43.06 13.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -70.14 -42.61 72.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.7 ttm-85 -47.69 -45.28 28.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.455 ' HG3' ' NE2' ' A' ' 95' ' ' GLN . 35.0 mm-40 -90.7 -59.12 2.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 131.64 30.06 0.56 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mt -108.15 176.68 5.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.34 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 t -102.87 169.62 8.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 58.7 mmm -79.08 -45.19 20.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -3.93 25.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -95.84 -31.42 13.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.6 pt -113.6 164.71 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -134.77 147.87 50.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 51' ' ' MET . 77.0 m-85 -111.27 144.99 39.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 24.6 mtt-85 -138.15 152.06 48.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.61 ' CD1' ' CE ' ' A' ' 85' ' ' MET . 66.3 t80 -142.87 106.02 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.5 t0 69.62 28.83 4.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.86 29.27 43.04 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -141.77 146.01 39.29 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.631 0.729 . . . . 0.0 110.877 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 128.61 16.3 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.596 HD13 ' HB2' ' A' ' 69' ' ' PHE . 1.4 pt -112.34 135.75 50.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.124 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.453 ' H ' ' ND2' ' A' ' 75' ' ' ASN . 0.0 OUTLIER -98.05 150.16 21.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -58.14 -30.01 66.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 59.7 p -68.5 -43.08 77.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.172 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.447 ' CG ' ' OD1' ' A' ' 75' ' ' ASN . 29.2 m-20 -55.26 151.99 8.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.35 160.81 27.05 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.563 0.696 . . . . 0.0 111.141 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -20.28 34.91 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.656 2.237 . . . . 0.0 112.355 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 43' ' ' ARG . . . -79.37 -30.58 42.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.93 -40.91 95.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.6 mt -90.35 9.17 29.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 85' ' ' MET . 8.3 mt-10 55.36 33.56 21.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.61 ' CE ' ' CD1' ' A' ' 69' ' ' PHE . 3.3 mmt -37.05 119.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -78.89 162.71 25.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.57 133.84 44.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 64.38 33.93 10.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -68.24 -174.99 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.9 m -135.72 123.41 22.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.152 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.787 HD11 HD12 ' A' ' 27' ' ' LEU . 5.8 mt -98.56 144.56 11.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -106.3 123.43 48.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.523 HG12 ' N ' ' A' ' 94' ' ' PHE . 91.4 t -140.01 158.55 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.523 ' N ' HG12 ' A' ' 93' ' ' VAL . 1.0 OUTLIER -119.1 121.19 39.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.455 ' NE2' ' HG3' ' A' ' 58' ' ' GLN . 31.5 mt-30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.559 ' CE1' ' HG2' ' A' ' 42' ' ' LYS . 15.2 m-70 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.824 0.345 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.608 HD11 ' HB2' ' A' ' 80' ' ' PRO . 16.6 pt -116.96 143.49 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -106.94 124.94 50.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.656 ' CD1' HD11 ' A' ' 91' ' ' ILE . 2.2 mt -115.28 125.85 53.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -90.92 115.44 27.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.773 HG22 ' HB ' ' A' ' 91' ' ' ILE . 57.5 t -92.1 113.32 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.062 179.916 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 87.8 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.893 0.378 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.439 HG12 ' CE1' ' A' ' 39' ' ' PHE . 14.6 t -107.25 121.98 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -96.71 161.55 13.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.78 ' CG ' HD13 ' A' ' 50' ' ' LEU . 96.9 m-85 -150.56 136.58 18.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -118.58 105.82 12.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.9 pt -128.24 177.47 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.559 ' HG2' ' CE1' ' A' ' 24' ' ' HIS . 36.8 mttp -88.55 160.54 17.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -67.86 -37.75 82.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -84.08 -7.7 59.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.482 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 13.7 m -83.73 130.33 56.01 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.552 0.692 . . . . 0.0 111.143 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 137.82 36.38 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.253 . . . . 0.0 112.343 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.531 HD22 HD23 ' A' ' 50' ' ' LEU . 69.5 mt -51.55 -21.26 2.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 47' ' ' LEU . 8.9 t -34.96 -62.27 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.9 mmtm -53.12 -45.37 68.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.78 HD13 ' CG ' ' A' ' 39' ' ' PHE . 1.3 tp -57.32 -61.37 2.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.971 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.437 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 2.4 mtt -49.32 -68.21 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -37.84 -52.92 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.22 -45.31 68.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.424 ' CE2' HG11 ' A' ' 93' ' ' VAL . 84.4 t80 -53.95 -29.64 43.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.487 ' SG ' HD11 ' A' ' 65' ' ' ILE . 7.7 m -77.61 -59.56 2.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -53.73 -41.21 66.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 44.6 ttm-85 -44.98 -46.84 11.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -95.19 -57.8 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.54 32.99 0.5 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.492 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mt -107.81 178.35 4.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.35 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 t -92.69 135.54 34.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.74 -30.98 57.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -77.12 -48.02 18.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -47.78 -41.09 22.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.487 HD11 ' SG ' ' A' ' 55' ' ' CYS . 31.1 pt -97.8 156.49 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -130.31 150.06 51.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.57 ' HB3' HD11 ' A' ' 74' ' ' ILE . 89.9 m-85 -116.16 146.76 42.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.483 ' CG ' ' HB3' ' A' ' 92' ' ' ASP . 9.6 ptt180 -153.41 141.12 19.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.457 ' HB3' ' CG2' ' A' ' 74' ' ' ILE . 48.3 t80 -126.22 130.85 51.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.0 t70 62.9 32.91 15.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.03 28.87 63.64 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.505 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -141.34 146.65 43.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.592 0.71 . . . . 0.0 110.907 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 112.25 3.03 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.646 2.231 . . . . 0.0 112.337 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.57 HD11 ' HB3' ' A' ' 67' ' ' PHE . 3.8 pt -93.79 148.71 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -114.15 144.96 42.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.429 ' HB2' ' CB ' ' A' ' 48' ' ' SER . 13.1 pt-20 -49.74 -43.19 47.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 69.9 p -51.83 -48.2 64.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -57.08 156.37 7.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.59 158.21 36.14 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.595 0.712 . . . . 0.0 111.102 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.608 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.9 Cg_endo -69.75 -10.47 28.65 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.638 2.226 . . . . 0.0 112.369 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -90.45 -28.77 18.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -68.93 -35.93 77.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.957 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.7 mt -90.13 3.3 53.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 61.93 36.4 15.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.7 mtt -51.18 106.74 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -72.24 171.59 11.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -69.43 155.22 40.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 11.0 pt-20 43.72 38.56 2.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -66.15 -175.25 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 85.2 m -141.7 118.9 11.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.773 ' HB ' HG22 ' A' ' 29' ' ' VAL . 4.7 mt -98.21 147.26 6.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.483 ' HB3' ' CG ' ' A' ' 68' ' ' ARG . 2.9 t70 -108.81 120.84 43.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.491 HG23 HG13 ' A' ' 29' ' ' VAL . 90.9 t -132.19 156.17 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.481 ' N ' HG12 ' A' ' 93' ' ' VAL . 2.5 m-85 -114.45 109.58 18.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.922 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.782 0.325 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.555 HD11 ' HB2' ' A' ' 80' ' ' PRO . 7.8 pt -125.52 144.96 33.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -112.57 115.15 28.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.8 ' HB2' HD11 ' A' ' 91' ' ' ILE . 6.8 mt -103.48 130.61 50.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -91.08 112.15 23.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.681 HG22 HD12 ' A' ' 91' ' ' ILE . 40.8 t -93.07 130.98 41.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 179.908 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 76.7 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.878 0.371 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 t -117.78 121.9 68.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -101.1 163.5 12.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.787 ' CG ' HD13 ' A' ' 50' ' ' LEU . 91.7 m-85 -153.46 124.62 7.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -108.33 111.07 22.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.2 pt -132.1 178.32 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -88.68 159.63 17.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.2 ptt85 -66.66 -33.42 75.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -89.24 -8.08 54.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.473 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 2.4 m -82.29 130.62 58.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.577 0.703 . . . . 0.0 111.143 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 150.8 68.79 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.697 2.265 . . . . 0.0 112.34 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.528 HD22 HD23 ' A' ' 50' ' ' LEU . 70.8 mt -66.43 -17.86 65.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.427 ' CB ' ' HB2' ' A' ' 76' ' ' GLU . 13.9 t -39.17 -54.87 1.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.9 mttm -61.37 -42.64 99.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.787 HD13 ' CG ' ' A' ' 39' ' ' PHE . 1.0 OUTLIER -57.59 -59.92 4.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.554 ' HG2' ' CD1' ' A' ' 67' ' ' PHE . 3.2 mtt -48.51 -56.38 8.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -50.17 -43.49 52.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.62 -21.79 65.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.069 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 81.8 t80 -86.5 -34.8 19.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.7 p -76.43 -31.57 57.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 4.8 pt-20 -78.8 -43.37 25.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.421 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 34.5 ttm-85 -45.63 -35.74 4.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.408 ' NE2' ' HG2' ' A' ' 57' ' ' ARG . 73.0 mm-40 -102.52 -53.84 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 125.99 28.88 0.99 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.425 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mt -101.48 173.76 6.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.3 m -99.46 139.34 35.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.491 ' CE ' ' HB2' ' A' ' 51' ' ' MET . 1.2 ttt -44.76 -52.97 7.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.5 ptt-85 -60.41 -50.92 71.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -43.76 -44.11 6.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.5 pt -99.89 168.19 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -146.7 138.62 24.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.554 ' CD1' ' HG2' ' A' ' 51' ' ' MET . 89.0 m-85 -101.09 160.67 14.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' A' ' 67' ' ' PHE . 31.7 mtt180 -163.39 140.34 7.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.577 ' CD2' ' HE3' ' A' ' 85' ' ' MET . 27.3 t80 -124.79 107.22 10.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.3 t0 74.35 26.43 1.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.45 31.44 37.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -134.15 142.51 43.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.541 0.686 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 123.64 10.27 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.682 2.254 . . . . 0.0 112.329 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 pt -114.73 136.78 50.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -102.63 154.7 18.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.427 ' HB2' ' CB ' ' A' ' 48' ' ' SER . 7.9 pt-20 -57.45 -43.59 84.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 77.7 p -56.72 -35.62 68.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.16 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.1 159.08 15.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.85 160.14 37.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.565 0.697 . . . . 0.0 111.118 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.555 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.2 Cg_endo -69.79 -14.78 36.48 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.72 2.28 . . . . 0.0 112.304 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.54 -26.89 27.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -73.4 -29.04 62.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.2 mt -87.69 3.61 47.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 62.8 47.25 4.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.577 ' HE3' ' CD2' ' A' ' 69' ' ' PHE . 7.8 mtt -79.24 130.06 35.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.406 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 17.6 mt-10 -94.8 -71.2 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.525 ' OD1' HG22 ' A' ' 25' ' ' ILE . 3.5 m-20 -175.68 162.61 2.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 43.26 29.51 0.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.47 ' HB2' HD22 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -75.0 124.78 27.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.5 m -78.22 131.33 37.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.8 HD11 ' HB2' ' A' ' 27' ' ' LEU . 13.2 mt -98.16 151.75 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -109.82 120.74 43.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.545 HG12 ' N ' ' A' ' 94' ' ' PHE . 59.4 t -138.67 160.16 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.545 ' N ' HG12 ' A' ' 93' ' ' VAL . 5.8 m-85 -124.79 109.45 13.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.942 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.761 0.315 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.423 HD11 ' HB2' ' A' ' 80' ' ' PRO . 26.5 pt -131.38 145.51 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.108 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -112.53 120.62 42.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.695 ' CD1' HD11 ' A' ' 91' ' ' ILE . 3.4 mt -103.84 130.71 51.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.743 ' O ' HG23 ' A' ' 90' ' ' THR . 22.3 mtmt -93.33 112.83 24.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.919 HG22 ' HB ' ' A' ' 91' ' ' ILE . 97.0 t -93.24 128.35 44.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.143 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.859 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 82.3 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.903 0.382 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.7 t -111.53 122.0 65.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -98.65 157.2 16.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.669 ' CG ' HD13 ' A' ' 50' ' ' LEU . 86.8 m-85 -145.6 133.43 21.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -106.9 114.6 28.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.4 pt -136.12 179.4 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -95.47 158.38 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.468 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -66.32 -22.76 66.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -112.39 47.4 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.734 ' C ' HG22 ' A' ' 79' ' ' THR . 63.2 m -134.25 134.87 23.16 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.563 0.697 . . . . 0.0 111.164 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.503 ' HD2' HG23 ' A' ' 45' ' ' THR . 53.6 Cg_endo -69.78 129.81 18.22 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.252 . . . . 0.0 112.358 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.718 HD22 HD23 ' A' ' 50' ' ' LEU . 59.6 mt -53.05 -19.12 2.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 47' ' ' LEU . 81.4 p -35.26 -48.28 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -70.01 -49.2 53.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.718 HD23 HD22 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -49.61 -52.21 32.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.6 mtt -57.12 -57.2 13.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -47.45 -35.57 8.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.57 -26.77 60.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.581 ' CE2' HG11 ' A' ' 93' ' ' VAL . 62.5 t80 -80.82 -40.23 25.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 12.7 p -73.02 -39.43 66.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 6.0 pt-20 -67.36 -44.34 79.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.438 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 18.6 ttt85 -51.46 -43.4 62.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -95.5 -5.48 42.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.88 20.86 76.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.5 mt -89.11 179.24 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.371 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.9 t -105.32 136.5 44.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.9 ttm -54.3 -42.5 70.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -67.89 -30.6 69.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -69.88 -41.6 74.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.3 pt -98.27 155.56 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 -121.43 147.31 45.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.562 ' HB3' HD11 ' A' ' 74' ' ' ILE . 97.1 m-85 -113.38 146.69 39.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.3 mtm-85 -151.48 162.6 40.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.576 ' CZ ' ' HG2' ' A' ' 85' ' ' MET . 27.8 t80 -149.25 110.59 4.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.9 t70 65.47 26.04 11.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.94 34.56 14.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.404 ' NE2' HD22 ' A' ' 83' ' ' LEU . 3.2 pt20 -139.99 138.48 19.64 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.645 0.736 . . . . 0.0 110.89 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 116.1 4.4 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.712 2.275 . . . . 0.0 112.344 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.562 HD11 ' HB3' ' A' ' 67' ' ' PHE . 10.8 pt -103.98 146.41 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -113.79 172.96 6.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -73.13 -29.64 63.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 36.1 p -81.92 14.78 2.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -111.3 149.15 31.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.734 HG22 ' C ' ' A' ' 45' ' ' THR . 0.8 OUTLIER -110.28 160.61 27.72 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.607 0.718 . . . . 0.0 111.127 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.423 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.4 Cg_endo -69.78 -24.82 29.17 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.66 2.24 . . . . 0.0 112.365 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' A' ' 43' ' ' ARG . . . -77.53 -24.54 49.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -75.07 -33.66 61.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.404 HD22 ' NE2' ' A' ' 72' ' ' GLN . 4.1 mt -83.56 8.07 15.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 62.39 44.54 7.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.576 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 30.3 mtt -76.53 148.05 37.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -107.17 -74.47 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 89' ' ' ASP . 4.4 p30 -175.56 164.07 3.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 39.7 27.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 87' ' ' ASP . 6.8 m-20 -62.95 -175.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.743 HG23 ' O ' ' A' ' 28' ' ' LYS . 70.2 m -139.92 130.33 25.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.919 ' HB ' HG22 ' A' ' 29' ' ' VAL . 5.4 mt -99.83 151.41 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -107.34 123.03 47.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.581 HG11 ' CE2' ' A' ' 54' ' ' TYR . 54.1 t -141.41 154.04 20.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.411 ' N ' ' CG1' ' A' ' 93' ' ' VAL . 9.4 m-85 -126.33 111.47 14.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 -179.904 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.538 ' CE1' ' HG2' ' A' ' 42' ' ' LYS . 47.5 m-70 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.759 0.314 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.449 HD11 ' HB2' ' A' ' 80' ' ' PRO . 47.6 pt -131.99 145.14 35.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -111.2 134.24 52.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.608 HD12 HD11 ' A' ' 91' ' ' ILE . 7.3 mt -120.06 129.19 54.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -90.92 109.76 20.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.933 HG22 ' HB ' ' A' ' 91' ' ' ILE . 73.7 t -89.98 128.39 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.093 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.05 179.911 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.4 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.86 0.362 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.0 t -110.57 121.99 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.098 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.401 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 43.3 mt-30 -96.27 165.09 12.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.658 ' CG ' HD13 ' A' ' 50' ' ' LEU . 81.6 m-85 -152.29 135.15 15.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -109.97 108.56 18.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.8 pt -133.08 175.16 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.538 ' HG2' ' CE1' ' A' ' 24' ' ' HIS . 24.9 mttp -93.41 161.27 14.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.639 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 4.8 ptm180 -64.8 -43.38 93.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.05 37.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.555 ' C ' HG22 ' A' ' 79' ' ' THR . 54.0 m -124.54 131.43 24.16 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.572 0.701 . . . . 0.0 111.142 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 125.46 12.16 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.553 HD22 HD23 ' A' ' 50' ' ' LEU . 86.6 mt -44.8 -22.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 47' ' ' LEU . 7.5 t -34.31 -57.82 0.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -58.1 -42.43 85.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.786 HD21 ' CD1' ' A' ' 91' ' ' ILE . 1.9 tp -60.12 -61.52 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.507 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 2.1 mtt -48.49 -58.84 4.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.421 ' HG2' ' HE3' ' A' ' 62' ' ' MET . 7.3 mmmt -45.62 -41.43 10.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.56 -30.46 71.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.659 ' CE2' HG11 ' A' ' 29' ' ' VAL . 48.8 t80 -77.52 -39.73 45.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.4 p -74.02 -31.72 63.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 4.1 pt-20 -76.1 -44.73 37.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.446 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 21.4 ttt180 -45.22 -48.56 12.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.4 ' HG3' ' NE2' ' A' ' 95' ' ' GLN . 71.9 mm-40 -89.18 -41.0 12.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.27 25.37 5.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.544 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.499 HD22 HE22 ' A' ' 64' ' ' GLN . 7.5 mt -98.44 169.68 9.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.786 0.327 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.3 p -99.13 135.06 41.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.421 ' HE3' ' HG2' ' A' ' 52' ' ' LYS . 7.3 ttm -40.6 -55.98 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -50.44 -52.18 40.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.499 HE22 HD22 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -49.53 -33.87 15.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.4 pt -106.43 172.99 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.09 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -147.39 129.37 15.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.676 ' HB3' HD11 ' A' ' 74' ' ' ILE . 86.5 m-85 -96.49 148.08 23.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -146.53 162.02 39.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.418 ' CG ' ' HE3' ' A' ' 85' ' ' MET . 66.0 t80 -148.25 106.29 3.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.4 t70 64.69 30.76 12.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.15 38.13 35.6 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -138.66 142.09 33.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.653 0.74 . . . . 0.0 110.85 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 113.76 3.49 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.314 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.676 HD11 ' HB3' ' A' ' 67' ' ' PHE . 15.5 pt -105.19 150.25 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -123.2 152.62 41.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -54.54 -43.77 72.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 57.4 p -54.58 -44.91 73.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -58.43 150.3 22.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.555 HG22 ' C ' ' A' ' 45' ' ' THR . 0.7 OUTLIER -108.41 160.34 27.45 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.582 0.706 . . . . 0.0 111.154 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.459 ' CD ' ' O ' ' A' ' 45' ' ' THR . 54.1 Cg_endo -69.74 -20.85 34.4 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.336 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.639 ' HB2' ' HB2' ' A' ' 43' ' ' ARG . . . -80.21 -22.13 42.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.11 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -75.61 -34.17 60.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.6 mt -96.36 18.72 13.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 50.35 42.0 25.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.418 ' HE3' ' CG ' ' A' ' 69' ' ' PHE . 7.0 mtt -67.27 103.16 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.449 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 18.9 pt-20 -82.19 167.92 18.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -64.05 155.34 31.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 62.77 27.51 16.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.553 ' HB2' HD22 ' A' ' 27' ' ' LEU . 12.5 m-20 -71.56 -177.52 1.89 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 91.0 m -142.85 123.77 14.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.933 ' HB ' HG22 ' A' ' 29' ' ' VAL . 5.0 mt -98.37 146.34 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.082 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -105.39 120.75 42.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.562 HG11 ' CE1' ' A' ' 54' ' ' TYR . 89.1 t -139.86 157.93 26.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.505 ' N ' HG12 ' A' ' 93' ' ' VAL . 65.0 m-85 -129.94 115.23 16.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.4 ' NE2' ' HG3' ' A' ' 58' ' ' GLN . 79.6 mt-30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.2 m80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.735 0.303 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.617 HD11 ' HB2' ' A' ' 80' ' ' PRO . 20.5 pt -111.53 135.1 51.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -96.2 123.84 39.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.745 ' CD1' HD11 ' A' ' 91' ' ' ILE . 3.3 mt -114.14 128.49 56.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.422 ' O ' HG23 ' A' ' 90' ' ' THR . 40.5 mttt -92.82 108.98 20.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.641 HG22 ' HB ' ' A' ' 91' ' ' ILE . 14.3 t -91.06 126.0 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.095 179.873 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.7 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.88 0.372 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.646 HG12 ' CE1' ' A' ' 39' ' ' PHE . 3.0 t -107.28 121.98 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.5 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 42.5 mt-30 -100.77 162.32 12.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.646 ' CE1' HG12 ' A' ' 37' ' ' VAL . 69.1 m-85 -154.39 128.69 9.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.1 tttp -107.06 107.16 18.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.2 pt -129.68 175.66 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -86.99 155.24 20.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 6.2 ptp180 -67.06 -25.11 66.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -96.56 -10.1 28.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.412 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 2.4 m -80.26 132.51 59.21 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.58 0.705 . . . . 0.0 111.177 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 134.9 29.13 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.72 2.28 . . . . 0.0 112.371 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.641 HD22 HD23 ' A' ' 50' ' ' LEU . 38.7 mt -48.63 -20.98 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' LEU . 34.5 t -35.12 -55.99 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.809 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.03 -41.63 98.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.641 HD23 HD22 ' A' ' 47' ' ' LEU . 1.8 tp -58.39 -54.08 51.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.55 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 3.1 mtt -58.1 -54.64 44.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -46.82 -56.18 6.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.26 -38.94 69.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.144 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -63.07 -29.49 70.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 9.1 m -80.53 -55.3 4.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 13.5 pt-20 -52.67 -45.09 66.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.438 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 10.9 ttt85 -45.95 -45.05 15.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -97.9 0.92 47.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.96 34.45 82.06 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mt -113.25 -175.16 2.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 110.937 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.6 m -112.19 150.08 31.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 54.8 mtp -54.83 -48.47 72.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 33.5 ptt-85 -60.15 -47.17 87.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -48.01 -28.16 2.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.8 pt -118.4 172.82 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -135.71 144.85 46.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.734 ' HB3' HD11 ' A' ' 74' ' ' ILE . 83.1 m-85 -111.12 141.1 45.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 92' ' ' ASP . 13.4 mmt180 -142.14 156.3 45.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.41 ' CG ' ' HE3' ' A' ' 85' ' ' MET . 59.0 t80 -148.08 116.18 6.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.0 t70 60.33 30.48 19.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.72 32.81 48.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.515 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.434 ' C ' ' HD3' ' A' ' 68' ' ' ARG . 12.6 mm100 -137.9 140.91 30.82 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.599 0.714 . . . . 0.0 110.92 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 112.31 3.04 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.74 2.294 . . . . 0.0 112.302 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.734 HD11 ' HB3' ' A' ' 67' ' ' PHE . 7.2 pt -100.14 147.54 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -118.58 159.52 23.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -59.87 -42.99 94.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 79.1 p -53.73 -48.99 69.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -55.46 154.92 5.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -111.16 158.97 34.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.569 0.699 . . . . 0.0 111.141 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.617 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.8 Cg_endo -69.79 -8.95 24.9 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 43' ' ' ARG . . . -90.92 -36.11 14.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -59.48 -32.11 69.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 mt -96.89 3.59 52.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 58.47 50.45 9.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.41 ' HE3' ' CG ' ' A' ' 69' ' ' PHE . 11.4 mtp -70.54 105.86 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.418 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 18.9 mt-10 -73.93 171.97 12.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -69.01 156.65 38.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 54.49 28.76 10.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 86' ' ' GLU . 11.2 m-20 -66.91 -177.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 28' ' ' LYS . 85.3 m -142.92 122.23 13.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.745 HD11 ' CD1' ' A' ' 27' ' ' LEU . 2.9 mt -99.31 146.19 9.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 68' ' ' ARG . 21.1 m-20 -105.72 120.68 42.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.666 HG22 ' HA ' ' A' ' 67' ' ' PHE . 24.8 t -137.32 159.94 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.532 ' N ' ' CG1' ' A' ' 93' ' ' VAL . 0.8 OUTLIER -138.17 109.5 6.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.813 0.34 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.415 HD11 ' HB2' ' A' ' 80' ' ' PRO . 34.2 pt -124.06 145.24 31.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.5 m-80 -111.39 130.51 55.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.513 HD12 HD11 ' A' ' 91' ' ' ILE . 7.4 mt -116.9 129.82 56.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -90.95 111.45 22.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.814 HG22 ' HB ' ' A' ' 91' ' ' ILE . 40.8 t -90.32 123.3 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.074 179.895 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.7 t . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.866 0.365 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.655 HG12 ' CE1' ' A' ' 39' ' ' PHE . 31.5 t -106.04 123.03 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.166 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -99.29 160.82 14.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.655 ' CE1' HG12 ' A' ' 37' ' ' VAL . 87.1 m-85 -148.35 133.04 17.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -111.08 111.95 23.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.5 pt -133.32 177.15 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.5 mttm -90.62 155.45 18.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -64.82 -28.7 69.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -94.51 -5.65 45.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.441 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 15.7 m -83.75 129.65 58.64 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.553 0.692 . . . . 0.0 111.179 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 134.16 27.24 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.673 2.249 . . . . 0.0 112.317 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.504 HD22 HD23 ' A' ' 50' ' ' LEU . 81.0 mt -47.35 -25.55 1.04 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 47' ' ' LEU . 13.0 p -34.5 -54.73 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -60.81 -40.17 91.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.564 HD13 ' CG ' ' A' ' 39' ' ' PHE . 1.7 tp -62.27 -56.8 14.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.1 mtt -53.62 -49.54 67.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -52.92 -48.8 67.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.01 -27.44 69.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.482 ' CE2' HG11 ' A' ' 93' ' ' VAL . 61.1 t80 -73.3 -33.44 65.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.937 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 32.6 m -76.87 -43.15 37.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -66.57 -41.97 87.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.8 ttt-85 -46.35 -55.71 6.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -84.16 -53.63 5.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 124.79 33.66 0.74 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.469 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mt -108.91 177.68 4.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.348 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 t -102.73 148.05 26.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 15.2 mmm -52.79 -53.99 40.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -59.91 -42.9 94.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -51.95 -42.82 63.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.0 pt -102.96 172.75 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.414 ' NH1' ' HB3' ' A' ' 66' ' ' ARG . 3.6 mmm180 -142.34 148.72 38.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.689 ' HB3' HD11 ' A' ' 74' ' ' ILE . 85.0 m-85 -115.34 149.49 37.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -152.57 149.93 29.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.525 ' CD1' ' CE ' ' A' ' 85' ' ' MET . 87.1 t80 -129.73 114.43 15.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 61.92 27.3 16.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.01 33.14 24.54 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.458 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -137.85 143.44 40.05 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.656 0.741 . . . . 0.0 110.904 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 120.26 7.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.685 2.257 . . . . 0.0 112.304 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.689 HD11 ' HB3' ' A' ' 67' ' ' PHE . 5.3 pt -107.24 146.55 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.164 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -114.86 136.07 53.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.403 ' HB2' ' CB ' ' A' ' 48' ' ' SER . 10.1 pt-20 -42.46 -44.23 3.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 75.0 p -52.75 -47.75 67.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.17 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -52.94 159.25 1.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -114.72 159.51 36.95 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.622 0.725 . . . . 0.0 111.129 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.441 ' CD ' ' O ' ' A' ' 45' ' ' THR . 53.7 Cg_endo -69.74 -14.95 36.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.342 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.62 -29.78 25.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -67.93 -33.07 73.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.415 ' O ' ' CG ' ' A' ' 84' ' ' GLU . 16.8 mt -97.08 21.1 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 83' ' ' LEU . 8.3 pt-20 43.02 46.9 4.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.525 ' CE ' ' CD1' ' A' ' 69' ' ' PHE . 8.7 mtt -68.19 102.5 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.457 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 11.4 pt-20 -84.07 161.45 20.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.825 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -58.54 155.37 12.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 62.66 32.42 16.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.474 ' HB2' HD22 ' A' ' 27' ' ' LEU . 12.7 m-20 -79.69 -176.66 5.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.812 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 96.9 m -143.39 129.57 19.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.814 ' HB ' HG22 ' A' ' 29' ' ' VAL . 8.4 mt -100.89 147.98 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.16 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -107.04 120.9 43.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.815 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.482 HG11 ' CE2' ' A' ' 54' ' ' TYR . 96.6 t -143.05 152.46 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.41 ' N ' HG12 ' A' ' 93' ' ' VAL . 10.2 m-85 -120.4 110.63 16.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.951 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.593 ' CE1' ' HG2' ' A' ' 42' ' ' LYS . 8.4 m80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.707 0.289 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.713 HD11 ' HB2' ' A' ' 80' ' ' PRO . 27.8 pt -130.16 133.6 63.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.117 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -96.75 131.09 43.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.585 ' CD1' HD11 ' A' ' 91' ' ' ILE . 9.9 mt -119.39 129.21 54.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -90.9 112.49 24.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.619 HG11 ' CE2' ' A' ' 54' ' ' TYR . 32.7 t -93.79 114.2 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.074 179.892 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.9 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.862 0.363 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.596 HG12 ' CE1' ' A' ' 39' ' ' PHE . 19.6 t -110.75 122.03 64.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -98.93 162.3 13.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.72 ' CG ' HD13 ' A' ' 50' ' ' LEU . 85.1 m-85 -151.53 124.61 8.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -106.4 112.6 25.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.552 ' HB ' HG21 ' A' ' 45' ' ' THR . 8.2 pt -135.08 174.84 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.593 ' HG2' ' CE1' ' A' ' 24' ' ' HIS . 8.1 mtpp -86.35 170.95 11.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -69.94 -33.94 72.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.462 ' C ' ' ND1' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -92.06 -2.75 56.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.552 HG21 ' HB ' ' A' ' 41' ' ' ILE . 19.3 m -75.79 118.87 74.18 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.548 0.69 . . . . 0.0 111.166 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 48' ' ' SER . 54.0 Cg_endo -69.7 122.5 9.2 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.67 2.247 . . . . 0.0 112.361 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.609 HD22 HD23 ' A' ' 50' ' ' LEU . 48.7 mt -41.69 -24.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' PRO . 6.7 p -34.98 -56.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -63.88 -37.71 88.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.72 HD13 ' CG ' ' A' ' 39' ' ' PHE . 1.5 tp -60.93 -59.9 4.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.543 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 5.9 mtt -49.11 -50.49 36.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -51.53 -52.89 43.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.86 -23.76 63.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.619 ' CE2' HG11 ' A' ' 29' ' ' VAL . 47.1 t80 -79.85 -35.07 38.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.583 ' SG ' HD11 ' A' ' 65' ' ' ILE . 59.9 m -76.94 -37.45 55.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 15.6 pt-20 -70.04 -45.32 67.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.43 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 43.7 ttt85 -44.37 -55.39 5.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -81.57 -50.77 8.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.63 35.61 0.9 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.522 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mt -111.08 179.06 4.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.849 0.356 . . . . 0.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.4 t -106.95 143.36 35.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 34.7 mmm -52.31 -36.97 54.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -67.67 -53.14 30.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -49.43 -41.29 39.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.583 HD11 ' SG ' ' A' ' 55' ' ' CYS . 8.3 pt -100.53 171.0 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -149.85 133.29 16.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.923 ' HB3' HD11 ' A' ' 74' ' ' ILE . 86.9 m-85 -92.21 162.49 14.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.0 mtt-85 -163.48 142.32 8.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.449 ' CD1' ' CE ' ' A' ' 85' ' ' MET . 76.6 t80 -125.92 116.63 21.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 62.15 28.95 17.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.27 36.39 27.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -141.47 144.42 33.69 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.616 0.722 . . . . 0.0 110.936 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 117.91 5.36 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.675 2.25 . . . . 0.0 112.315 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.923 HD11 ' HB3' ' A' ' 67' ' ' PHE . 2.7 pt -104.69 148.76 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 76' ' ' GLU . 20.1 m120 -114.8 133.68 55.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 75' ' ' ASN . 6.1 pt-20 -37.72 -42.74 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 52.1 p -54.24 -49.75 68.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.167 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -48.17 155.95 0.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.4 159.67 40.84 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.588 0.708 . . . . 0.0 111.155 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.713 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.7 Cg_endo -69.75 -7.65 21.6 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.664 2.243 . . . . 0.0 112.331 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -92.17 -27.87 17.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -74.97 -37.23 61.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.8 mt -91.47 11.11 25.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 53.2 39.84 30.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.449 ' CE ' ' CD1' ' A' ' 69' ' ' PHE . 7.2 mtt -58.28 98.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -62.69 -178.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.433 ' C ' ' HG2' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -79.48 162.15 25.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.433 ' HG2' ' C ' ' A' ' 87' ' ' ASP . 10.2 pt-20 36.29 38.22 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -72.15 -176.02 1.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 89.0 m -132.82 127.96 35.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.585 HD11 ' CD1' ' A' ' 27' ' ' LEU . 3.7 mt -98.37 156.02 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.134 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.433 ' N ' HG22 ' A' ' 91' ' ' ILE . 30.8 m-20 -112.6 121.93 46.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.508 HG22 ' HA ' ' A' ' 67' ' ' PHE . 92.4 t -144.45 150.36 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -112.82 109.43 18.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.966 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.772 0.32 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.467 HG22 ' O ' ' A' ' 86' ' ' GLU . 4.9 pt -123.85 141.48 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -99.83 110.92 23.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.778 HD22 ' CG ' ' A' ' 89' ' ' ASP . 14.7 mt -102.86 128.89 49.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -93.66 109.08 20.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.683 HG22 HD12 ' A' ' 91' ' ' ILE . 15.4 t -89.88 121.04 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.871 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.1 t . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.877 0.37 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.718 HG12 ' CE1' ' A' ' 39' ' ' PHE . 21.8 t -117.16 122.5 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.404 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 39.7 mt-30 -97.02 162.63 13.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.718 ' CE1' HG12 ' A' ' 37' ' ' VAL . 81.1 m-85 -152.04 135.3 15.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -112.9 110.0 19.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.2 pt -129.11 179.79 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -95.78 164.06 12.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -70.03 -38.13 75.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.816 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -89.57 1.34 56.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.431 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 3.0 m -91.23 130.0 41.48 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.616 0.722 . . . . 0.0 111.122 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 139.06 39.21 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.559 HD22 HD23 ' A' ' 50' ' ' LEU . 61.6 mt -55.74 -16.59 4.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 p -37.9 -58.29 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -57.85 -44.72 86.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.67 HD13 ' CG ' ' A' ' 39' ' ' PHE . 1.2 tp -56.07 -63.05 1.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.547 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 5.3 mtt -45.41 -66.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.49 ' HG2' ' CE ' ' A' ' 62' ' ' MET . 15.8 mtmm -40.91 -54.55 2.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.13 -36.64 61.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.493 ' CE2' HG11 ' A' ' 93' ' ' VAL . 82.6 t80 -68.68 -36.14 78.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 59' ' ' GLY . 5.9 m -70.63 -50.67 34.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.67 -41.68 86.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 48.8 ttm-85 -55.42 -43.67 75.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.456 ' HG3' ' NE2' ' A' ' 95' ' ' GLN . 53.9 mm-40 -101.52 5.32 41.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 57.51 32.98 65.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.49 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.7 mt -97.57 -175.45 3.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.789 0.328 . . . . 0.0 110.953 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 t -113.19 135.03 54.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.49 ' CE ' ' HG2' ' A' ' 52' ' ' LYS . 2.2 ttt -50.01 -44.13 51.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -68.39 -49.66 58.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -47.09 -39.12 12.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.7 pt -102.75 167.41 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -144.74 127.26 16.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.827 ' HB3' HD11 ' A' ' 74' ' ' ILE . 83.4 m-85 -88.28 157.72 18.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 31.6 mtt85 -160.36 147.61 16.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.831 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.603 ' CD1' ' HE2' ' A' ' 85' ' ' MET . 92.0 t80 -139.2 112.04 7.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.3 t0 72.56 24.99 2.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.842 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.37 35.57 32.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.462 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -138.86 142.03 32.39 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 120.06 6.9 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.683 2.255 . . . . 0.0 112.291 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.827 HD11 ' HB3' ' A' ' 67' ' ' PHE . 10.9 pt -108.95 145.97 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -113.94 156.98 23.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -59.57 -32.44 70.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 76.9 p -65.87 -40.19 91.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.148 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -60.44 157.5 13.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.56 160.64 29.73 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.633 0.73 . . . . 0.0 111.081 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.446 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.8 Cg_endo -69.82 -24.93 28.83 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.646 2.23 . . . . 0.0 112.354 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.29 -22.15 55.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.056 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -75.92 -34.32 59.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.7 mt -86.2 11.02 12.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 61.01 41.03 14.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.603 ' HE2' ' CD1' ' A' ' 69' ' ' PHE . 8.2 mtt -76.26 116.92 17.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.467 ' O ' HG22 ' A' ' 25' ' ' ILE . 21.9 mt-10 -87.34 -74.23 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -175.72 165.73 3.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 42.83 29.63 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.778 ' CG ' HD22 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -70.09 -174.6 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 44.2 m -128.46 124.35 35.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.683 HD12 HG22 ' A' ' 29' ' ' VAL . 11.8 mt -98.11 144.2 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -105.71 123.65 48.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.493 HG11 ' CE2' ' A' ' 54' ' ' TYR . 97.0 t -145.37 143.87 21.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -105.23 111.3 24.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.456 ' NE2' ' HG3' ' A' ' 58' ' ' GLN . 15.6 mt-30 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.434 ' NE2' ' HG2' ' A' ' 42' ' ' LYS . 16.6 m80 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.772 0.32 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.722 HG22 ' O ' ' A' ' 86' ' ' GLU . 21.5 pt -134.41 144.4 35.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -110.79 114.31 27.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.713 ' CD1' HD11 ' A' ' 91' ' ' ILE . 2.6 mt -106.22 129.4 54.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -92.62 107.18 19.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.602 HG22 ' HB ' ' A' ' 91' ' ' ILE . 24.4 t -90.6 117.24 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.165 179.831 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 37.6 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.845 0.355 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.439 HG12 ' CE1' ' A' ' 39' ' ' PHE . 11.7 t -121.39 122.01 66.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.157 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.427 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 37.2 mt-30 -95.44 162.65 13.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.669 ' CG ' HD13 ' A' ' 50' ' ' LEU . 70.5 m-85 -152.32 130.02 11.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.7 tttp -103.14 117.06 33.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.4 pt -139.87 -178.76 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.152 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.434 ' HG2' ' NE2' ' A' ' 24' ' ' HIS . 33.9 mtpt -99.69 169.6 9.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.9 ptt85 -73.87 -40.44 63.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -94.06 36.14 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.811 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.568 ' C ' HG22 ' A' ' 79' ' ' THR . 4.6 m -122.08 133.16 24.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.612 0.72 . . . . 0.0 111.113 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 125.09 11.74 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.725 2.283 . . . . 0.0 112.33 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.581 HD22 HD23 ' A' ' 50' ' ' LEU . 42.9 mt -48.86 -18.87 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 47' ' ' LEU . 55.5 p -33.57 -57.51 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -60.11 -51.45 69.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.67 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.8 OUTLIER -49.2 -53.92 19.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.56 ' HG2' ' CE1' ' A' ' 67' ' ' PHE . 16.0 mtt -49.53 -53.48 23.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.4 mtmm -51.74 -53.24 41.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.64 -23.85 4.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.523 ' CE2' ' CG1' ' A' ' 29' ' ' VAL . 48.4 t80 -83.17 -30.33 27.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 11.4 p -81.05 -35.46 31.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 5.9 pt-20 -70.64 -43.4 69.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.439 HH11 ' NE2' ' A' ' 58' ' ' GLN . 59.2 ttt-85 -47.67 -53.19 15.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.439 ' NE2' HH11 ' A' ' 57' ' ' ARG . 72.9 mm-40 -86.3 -32.03 21.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.61 31.25 6.82 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.518 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mt -103.6 178.23 4.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.9 m -97.77 150.88 20.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 39.8 mtp -64.52 -56.12 16.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -15.16 10.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -80.47 -43.28 21.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 48.7 pt -100.73 153.7 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.432 ' NH2' ' HB3' ' A' ' 73' ' ' PRO . 5.7 tpt180 -118.31 147.37 43.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.562 ' HB3' HD11 ' A' ' 74' ' ' ILE . 97.1 m-85 -109.13 141.72 40.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -144.28 155.56 43.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -150.7 137.69 19.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 42.87 28.57 0.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 73.28 36.89 55.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -138.97 145.09 43.94 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.432 ' HB3' ' NH2' ' A' ' 66' ' ' ARG . 53.9 Cg_endo -69.69 112.47 3.07 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.703 2.269 . . . . 0.0 112.363 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.562 HD11 ' HB3' ' A' ' 67' ' ' PHE . 10.0 pt -102.72 142.98 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -114.29 157.77 22.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -60.6 -41.09 94.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 23.9 p -63.13 -29.92 71.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.77 166.45 10.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.568 HG22 ' C ' ' A' ' 45' ' ' THR . 1.2 p -123.72 159.12 57.22 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.579 0.704 . . . . 0.0 111.148 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.492 ' HB2' ' CD1' ' A' ' 25' ' ' ILE . 54.2 Cg_endo -69.71 -17.26 37.9 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.735 2.29 . . . . 0.0 112.384 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.26 -24.01 32.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.097 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -76.47 -30.1 57.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.977 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.8 mt -86.59 4.22 41.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 65.26 49.32 1.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 24.8 mtt -84.42 143.17 29.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.722 ' O ' HG22 ' A' ' 25' ' ' ILE . 20.4 mm-40 -109.07 -75.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 89' ' ' ASP . 0.7 OUTLIER -172.58 170.32 4.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 39.61 25.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 87' ' ' ASP . 42.3 m-20 -63.7 -174.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 73.0 m -142.26 122.95 14.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.713 HD11 ' CD1' ' A' ' 27' ' ' LEU . 3.9 mt -98.72 150.77 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -109.63 120.69 43.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.42 HG11 ' CE1' ' A' ' 54' ' ' TYR . 75.0 t -134.11 147.9 30.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -109.22 109.24 20.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.474 ' CE1' ' HG2' ' A' ' 42' ' ' LYS . 33.5 m-70 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.799 0.333 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.443 HG22 ' O ' ' A' ' 86' ' ' GLU . 13.2 pt -140.9 137.62 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.168 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -103.6 111.66 24.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.812 HD22 ' HB2' ' A' ' 89' ' ' ASP . 6.2 mt -105.0 129.66 53.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -91.42 110.74 22.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.716 HG22 ' HB ' ' A' ' 91' ' ' ILE . 10.9 t -91.45 129.09 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.874 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.768 HG12 ' NE2' ' A' ' 38' ' ' GLN . 95.1 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.904 0.383 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.556 HG12 ' CE1' ' A' ' 39' ' ' PHE . 20.2 t -118.33 124.57 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.768 ' NE2' HG12 ' A' ' 36' ' ' VAL . 16.9 mp0 -96.37 163.09 13.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.718 ' CG ' HD13 ' A' ' 50' ' ' LEU . 91.1 m-85 -152.85 133.73 13.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -109.82 113.55 26.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.406 HD11 ' HG3' ' A' ' 80' ' ' PRO . 18.4 pt -134.72 -178.57 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.131 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.474 ' HG2' ' CE1' ' A' ' 24' ' ' HIS . 55.1 mttt -99.65 155.13 17.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.32 -27.96 69.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.441 ' CG ' ' O ' ' A' ' 44' ' ' HIS . 6.0 p80 -105.62 40.71 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.831 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.568 ' C ' HG22 ' A' ' 79' ' ' THR . 15.1 m -129.1 133.5 25.26 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.633 0.73 . . . . 0.0 111.087 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 48' ' ' SER . 53.7 Cg_endo -69.75 121.75 8.44 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.656 HD22 HD23 ' A' ' 50' ' ' LEU . 76.1 mt -42.95 -23.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 47' ' ' LEU . 7.4 t -34.0 -53.31 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -44.35 96.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.718 HD13 ' CG ' ' A' ' 39' ' ' PHE . 1.5 tp -58.15 -57.21 13.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.541 ' HG2' ' CE1' ' A' ' 67' ' ' PHE . 4.4 mtt -49.47 -66.81 0.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 51' ' ' MET . 24.5 mtpt -34.91 -55.95 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.28 -40.73 64.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.487 ' N ' ' O ' ' A' ' 51' ' ' MET . 53.6 t80 -58.18 -31.68 67.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 59' ' ' GLY . 74.6 m -76.25 -56.55 4.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.435 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 8.2 pt-20 -55.32 -44.37 75.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.435 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 33.5 ttm-85 -44.84 -49.56 10.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 70.6 mm-40 -98.63 -8.03 27.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 76.9 26.66 61.98 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.507 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.5 mt -96.18 -177.15 3.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.794 0.33 . . . . 0.0 110.937 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 t -102.13 175.09 5.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.4 ttt -93.93 -50.72 5.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.92 -6.95 9.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -92.16 -35.25 13.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.8 pt -105.69 165.2 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -140.11 145.29 37.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.809 ' HB3' HD11 ' A' ' 74' ' ' ILE . 87.8 m-85 -106.14 157.66 17.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -163.07 147.81 11.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.509 ' CE1' ' HB3' ' A' ' 89' ' ' ASP . 28.5 t80 -135.96 112.71 10.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.4 t70 70.58 25.15 4.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.8 34.29 28.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.524 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -135.88 138.23 27.33 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.579 0.704 . . . . 0.0 110.895 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 116.78 4.72 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.698 2.266 . . . . 0.0 112.294 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.809 HD11 ' HB3' ' A' ' 67' ' ' PHE . 10.0 pt -106.09 146.45 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -110.77 161.16 16.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -64.65 -39.23 93.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 75.5 p -64.68 -18.45 64.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.166 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.7 163.92 25.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.568 HG22 ' C ' ' A' ' 45' ' ' THR . 0.9 OUTLIER -120.52 160.77 42.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.579 0.704 . . . . 0.0 111.122 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.412 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.7 Cg_endo -69.72 -20.4 35.05 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.37 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.45 -27.04 46.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -74.12 -30.16 62.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.493 HD21 HG22 ' A' ' 74' ' ' ILE . 12.3 mt -87.61 10.66 17.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 60.58 48.43 7.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.489 ' HG2' ' CE2' ' A' ' 69' ' ' PHE . 8.9 mtt -91.26 138.6 31.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.557 ' CD ' ' N ' ' A' ' 86' ' ' GLU . 1.7 pm0 -119.27 -58.17 1.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -176.16 170.38 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 43.45 25.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.812 ' HB2' HD22 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -73.17 125.13 27.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.8 m -85.26 128.39 34.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.716 ' HB ' HG22 ' A' ' 29' ' ' VAL . 5.4 mt -100.57 145.38 11.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -107.53 121.2 44.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 99.5 t -139.64 147.08 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -111.35 109.89 20.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.929 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.587 ' CE1' ' HG2' ' A' ' 42' ' ' LYS . 63.6 m-70 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.793 0.33 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.739 HD11 ' HB2' ' A' ' 80' ' ' PRO . 33.6 pt -133.34 132.04 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.489 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -88.21 126.21 35.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.648 ' CD1' HD11 ' A' ' 91' ' ' ILE . 10.5 mt -116.19 121.72 42.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -91.0 107.28 19.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.839 HG22 ' HB ' ' A' ' 91' ' ' ILE . 21.4 t -89.97 116.22 30.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 179.871 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 49.1 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.877 0.37 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.453 HG12 ' CE1' ' A' ' 39' ' ' PHE . 10.3 t -136.81 125.9 36.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -96.77 158.03 15.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.643 ' CG ' HD13 ' A' ' 50' ' ' LEU . 91.5 m-85 -149.45 122.14 8.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -101.51 115.71 31.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.481 HD11 ' HG3' ' A' ' 80' ' ' PRO . 14.1 pt -140.4 179.48 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.587 ' HG2' ' CE1' ' A' ' 24' ' ' HIS . 49.4 mttt -89.74 158.02 17.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.589 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -70.74 -21.39 62.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -108.82 36.83 2.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.638 ' C ' HG22 ' A' ' 79' ' ' THR . 43.8 m -125.13 135.02 26.28 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.595 0.712 . . . . 0.0 111.126 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.502 ' HD2' HG23 ' A' ' 45' ' ' THR . 53.7 Cg_endo -69.74 126.23 13.09 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.25 . . . . 0.0 112.369 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.667 HD22 HD23 ' A' ' 50' ' ' LEU . 32.7 mt -49.76 -20.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 47' ' ' LEU . 21.7 t -34.5 -45.98 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.93 -43.55 62.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.886 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.667 HD23 HD22 ' A' ' 47' ' ' LEU . 1.4 tp -56.1 -53.44 57.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.473 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 3.0 mtt -59.9 -58.98 6.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.419 ' N ' ' HE1' ' A' ' 62' ' ' MET . 20.5 mttt -39.61 -48.42 2.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.83 84.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.626 ' CE2' HG11 ' A' ' 93' ' ' VAL . 62.0 t80 -60.95 -32.11 71.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' GLY . 99.7 m -73.06 -54.05 9.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 4.4 pt-20 -57.23 -43.56 82.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.43 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 39.5 ttt180 -48.49 -44.08 35.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -104.87 2.1 29.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 59.83 37.5 92.6 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.531 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.3 mt -101.14 -176.31 3.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.5 m -108.47 132.28 53.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.466 ' CE ' ' HB2' ' A' ' 51' ' ' MET . 0.3 OUTLIER -49.56 -37.16 26.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.414 ' O ' ' NH1' ' A' ' 63' ' ' ARG . 13.5 tpt85 -75.63 -44.99 39.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -54.34 -30.39 51.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.9 pt -115.18 168.81 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 -143.75 162.74 35.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.698 ' HB3' HD11 ' A' ' 74' ' ' ILE . 63.0 m-85 -120.64 155.67 33.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.5 mtt180 -153.66 150.12 28.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.652 ' CD1' ' CE ' ' A' ' 85' ' ' MET . 76.5 t80 -137.69 110.44 7.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.1 t0 69.06 28.03 5.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.22 29.16 41.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.49 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -139.55 143.58 36.1 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.558 0.694 . . . . 0.0 110.926 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 122.39 9.07 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.718 2.279 . . . . 0.0 112.358 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.698 HD11 ' HB3' ' A' ' 67' ' ' PHE . 1.7 pt -101.54 144.16 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -106.35 131.54 53.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -39.97 -40.94 1.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 41.3 p -59.08 -44.72 91.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.117 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -56.0 148.03 18.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.842 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.638 HG22 ' C ' ' A' ' 45' ' ' THR . 0.7 OUTLIER -105.71 160.64 25.4 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.601 0.715 . . . . 0.0 111.124 -179.882 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.739 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.4 Cg_endo -69.75 -12.7 33.45 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.702 2.268 . . . . 0.0 112.339 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 43' ' ' ARG . . . -87.51 -27.65 22.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -71.44 -34.42 70.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.6 mt -92.65 9.24 35.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 55.57 48.62 18.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.652 ' CE ' ' CD1' ' A' ' 69' ' ' PHE . 7.8 mtt -69.89 120.65 15.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -84.94 177.3 8.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -75.5 149.35 38.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 55.51 25.54 7.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -58.97 -175.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 44.9 m -138.12 122.28 18.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.839 ' HB ' HG22 ' A' ' 29' ' ' VAL . 3.4 mt -98.23 147.54 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -105.56 121.14 43.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.626 HG11 ' CE2' ' A' ' 54' ' ' TYR . 43.2 t -136.7 156.37 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.447 ' N ' ' CG1' ' A' ' 93' ' ' VAL . 17.1 m-85 -116.62 109.77 17.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.902 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.43 ' NE2' ' HG2' ' A' ' 42' ' ' LYS . 9.5 m80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.753 0.311 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.626 HD11 ' HB2' ' A' ' 80' ' ' PRO . 36.2 pt -118.92 131.61 71.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.487 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -88.09 129.91 35.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.643 ' CD1' HD11 ' A' ' 91' ' ' ILE . 1.6 mt -124.83 126.45 45.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.649 ' O ' HG23 ' A' ' 90' ' ' THR . 15.3 mttm -90.9 113.72 25.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.662 HG22 ' HB ' ' A' ' 91' ' ' ILE . 65.2 t -92.11 116.19 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.887 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.8 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.84 0.353 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.537 HG12 ' CE1' ' A' ' 39' ' ' PHE . 11.9 t -106.52 121.95 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -95.41 159.25 15.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.723 ' CG ' HD13 ' A' ' 50' ' ' LEU . 90.5 m-85 -149.51 126.78 11.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -108.7 107.17 17.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.5 pt -127.69 -179.69 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.43 ' HG2' ' NE2' ' A' ' 24' ' ' HIS . 82.7 mttt -91.52 167.8 11.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -75.44 -39.68 58.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -87.96 9.69 21.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.473 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 2.4 m -99.79 130.75 25.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.542 0.686 . . . . 0.0 111.184 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 140.77 43.62 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.561 HD22 HD23 ' A' ' 50' ' ' LEU . 50.9 mt -56.65 -21.01 24.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 47' ' ' LEU . 91.4 p -35.67 -50.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -65.29 -40.92 94.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.723 HD13 ' CG ' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -61.37 -57.39 12.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.419 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 2.7 mtt -53.38 -47.46 69.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -56.41 -51.07 69.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.69 -18.83 61.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.092 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.46 ' CE2' HG11 ' A' ' 93' ' ' VAL . 84.4 t80 -84.93 -33.04 22.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 45.3 m -77.57 -36.85 51.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.42 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 7.1 pt-20 -72.18 -44.01 63.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.531 ' NH1' HG13 ' A' ' 37' ' ' VAL . 49.5 ttt180 -48.1 -62.05 1.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -75.64 -49.4 18.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.52 37.19 1.21 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.522 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 mt -109.49 -179.54 3.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.822 0.344 . . . . 0.0 110.921 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.5 m -105.79 142.86 34.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.6 mtt -52.15 -48.76 64.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -63.17 -44.35 95.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -53.53 -37.27 62.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.1 pt -105.9 166.85 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -141.46 137.79 32.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.763 ' HB3' HD11 ' A' ' 74' ' ' ILE . 96.8 m-85 -101.38 158.68 15.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -160.04 153.14 21.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.486 ' CD1' ' CE ' ' A' ' 85' ' ' MET . 77.0 t80 -140.13 112.35 7.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.9 t0 68.55 24.98 6.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.11 33.92 22.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -140.97 143.33 31.1 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.611 0.72 . . . . 0.0 110.9 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 116.39 4.54 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.361 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.763 HD11 ' HB3' ' A' ' 67' ' ' PHE . 3.1 pt -101.43 150.48 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -116.02 154.21 30.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -60.19 -34.13 73.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 77.3 p -64.28 -33.95 76.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.186 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -66.82 156.99 34.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.04 158.85 35.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.534 0.683 . . . . 0.0 111.158 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.626 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.5 Cg_endo -69.82 -15.22 36.77 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.86 -22.37 27.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.072 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -72.92 -35.36 67.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.5 mt -96.65 17.63 16.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 48.1 48.45 18.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.486 ' CE ' ' CD1' ' A' ' 69' ' ' PHE . 7.5 mtt -66.61 98.56 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -62.51 172.17 1.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -75.68 143.51 42.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 62.99 26.81 15.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -66.94 -174.91 0.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.649 HG23 ' O ' ' A' ' 28' ' ' LYS . 93.2 m -138.87 128.38 24.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.662 ' HB ' HG22 ' A' ' 29' ' ' VAL . 11.1 mt -98.3 156.63 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.436 ' N ' HG22 ' A' ' 91' ' ' ILE . 76.9 m-20 -112.41 125.51 54.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.537 HG12 ' N ' ' A' ' 94' ' ' PHE . 89.6 t -145.42 159.29 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.537 ' N ' HG12 ' A' ' 93' ' ' VAL . 5.7 m-85 -121.7 114.47 21.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.934 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.773 0.321 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.719 HG22 ' O ' ' A' ' 86' ' ' GLU . 5.9 pt -124.91 152.97 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -117.2 108.88 16.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.632 ' CD1' HD11 ' A' ' 91' ' ' ILE . 2.9 mt -103.16 128.04 50.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -91.71 112.95 25.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.741 HG22 ' HB ' ' A' ' 91' ' ' ILE . 61.3 t -90.46 129.03 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.112 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.855 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.7 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.891 0.377 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.64 HG12 ' CE1' ' A' ' 39' ' ' PHE . 21.7 t -113.42 122.66 67.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.114 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -98.36 163.04 12.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.795 ' CG ' HD13 ' A' ' 50' ' ' LEU . 96.5 m-85 -153.2 138.14 17.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -113.35 106.83 15.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.5 pt -129.81 178.74 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -94.5 166.89 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.563 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 52.9 mtm180 -71.0 -40.77 71.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -86.28 -4.9 59.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.443 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 3.4 m -83.87 127.94 65.21 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.704 . . . . 0.0 111.155 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 140.17 41.91 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.64 HD22 HD23 ' A' ' 50' ' ' LEU . 59.0 mt -58.09 -15.1 8.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 47' ' ' LEU . 68.6 p -35.75 -59.24 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -58.82 -47.26 85.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.795 HD13 ' CG ' ' A' ' 39' ' ' PHE . 1.2 tp -51.08 -57.26 9.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.466 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 2.7 mtt -52.31 -48.92 65.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -56.0 -53.3 58.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.7 -23.65 59.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.08 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.542 ' CE2' HG11 ' A' ' 93' ' ' VAL . 82.8 t80 -81.28 -38.81 26.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.4 ' SG ' ' N ' ' A' ' 56' ' ' GLU . 3.0 p -76.21 -40.16 52.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.4 ' N ' ' SG ' ' A' ' 55' ' ' CYS . 4.9 pt-20 -70.69 -41.65 71.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -50.28 -53.97 24.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -80.59 -47.52 14.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.35 27.09 2.73 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.0 mt -100.89 -179.77 4.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.0 m -108.91 155.05 21.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.3 mtt -74.03 -28.29 61.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -80.73 -3.41 50.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -103.25 -37.14 7.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 27.0 pt -100.22 173.12 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 -147.62 136.05 21.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.783 ' HB3' HD11 ' A' ' 74' ' ' ILE . 92.5 m-85 -99.59 152.43 20.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -159.75 147.63 17.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.595 ' CE1' ' HE2' ' A' ' 85' ' ' MET . 29.9 t80 -137.21 116.12 12.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.9 t70 64.24 28.98 13.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.846 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.49 37.6 46.48 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.519 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -136.27 139.91 31.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.602 0.715 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 114.97 3.88 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.746 2.297 . . . . 0.0 112.31 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.783 HD11 ' HB3' ' A' ' 67' ' ' PHE . 15.3 pt -106.66 153.54 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -127.64 155.06 44.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.413 ' HB2' ' CB ' ' A' ' 48' ' ' SER . 6.6 pt-20 -54.97 -33.04 62.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 61.1 p -68.38 -33.05 73.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -63.66 172.57 2.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.5 p -128.27 158.84 70.05 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.551 0.691 . . . . 0.0 111.134 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.492 ' HB2' ' CD1' ' A' ' 25' ' ' ILE . 54.3 Cg_endo -69.72 -28.5 25.35 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.675 2.25 . . . . 0.0 112.353 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.563 ' HB2' ' HB3' ' A' ' 43' ' ' ARG . . . -74.69 -20.93 59.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.057 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -77.13 -33.47 56.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.556 HD21 HG22 ' A' ' 74' ' ' ILE . 5.8 mt -85.07 9.59 14.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 65.91 44.33 2.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.595 ' HE2' ' CE1' ' A' ' 69' ' ' PHE . 16.3 mtt -86.66 137.53 32.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.719 ' O ' HG22 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -116.49 -62.89 1.52 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 89' ' ' ASP . 30.7 t70 -175.47 170.69 2.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 39.32 25.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 87' ' ' ASP . 24.0 m-20 -62.06 -175.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.7 m -138.68 126.56 22.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.741 ' HB ' HG22 ' A' ' 29' ' ' VAL . 6.0 mt -106.06 146.37 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -107.92 121.01 43.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.542 HG11 ' CE2' ' A' ' 54' ' ' TYR . 61.9 t -140.85 141.55 31.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -106.66 109.77 21.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.929 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.582 ' CE1' ' HG2' ' A' ' 42' ' ' LYS . 22.0 m-70 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.759 0.314 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.652 HD11 ' HB2' ' A' ' 80' ' ' PRO . 23.6 pt -128.68 136.53 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -100.08 117.97 35.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.7 ' CD1' HD11 ' A' ' 91' ' ' ILE . 2.7 mt -110.48 124.52 51.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -91.04 110.82 22.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.799 HG22 ' HB ' ' A' ' 91' ' ' ILE . 21.5 t -90.17 134.76 28.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.877 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 77.0 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.853 0.359 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.7 t -109.2 122.11 63.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -101.04 156.91 17.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.627 ' CB ' HD13 ' A' ' 50' ' ' LEU . 92.1 m-85 -146.98 131.46 17.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -108.37 108.16 19.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.3 pt -130.15 -179.13 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.582 ' HG2' ' CE1' ' A' ' 24' ' ' HIS . 26.9 mttm -96.0 171.1 8.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -75.53 -40.39 57.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -85.66 -2.27 58.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.751 HG23 ' HE3' ' A' ' 49' ' ' LYS . 17.5 m -85.31 126.76 66.24 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.554 0.692 . . . . 0.0 111.166 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 132.49 23.5 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.682 2.255 . . . . 0.0 112.369 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.63 HD22 HD23 ' A' ' 50' ' ' LEU . 85.9 mt -44.13 -23.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' LEU . 9.5 t -34.56 -54.97 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.751 ' HE3' HG23 ' A' ' 45' ' ' THR . 13.1 mtmm -61.51 -43.5 98.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.914 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.63 HD23 HD22 ' A' ' 47' ' ' LEU . 2.6 tp -57.24 -54.6 44.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.411 ' HB2' ' CE ' ' A' ' 62' ' ' MET . 1.8 mtt -58.25 -51.95 67.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.2 mtpp -52.45 -34.65 49.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.29 -23.49 59.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.08 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.439 ' OH ' ' NE2' ' A' ' 95' ' ' GLN . 1.6 t80 -78.27 -48.43 15.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 9.9 p -60.45 -40.04 89.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.511 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 4.7 pt-20 -68.21 -48.74 64.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.511 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 10.9 ttm-85 -42.21 -48.75 4.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -93.03 -18.68 22.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.78 21.7 49.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.471 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.563 HD22 HE22 ' A' ' 64' ' ' GLN . 5.2 mt -96.39 -176.49 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.815 0.341 . . . . 0.0 110.924 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.7 t -103.2 139.9 38.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.411 ' CE ' ' HB2' ' A' ' 51' ' ' MET . 35.8 mmm -51.06 -51.17 55.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -61.95 -35.92 79.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.563 HE22 HD22 ' A' ' 60' ' ' LEU . 17.9 tt0 -56.78 -42.19 78.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.602 HG22 ' CB ' ' A' ' 95' ' ' GLN . 46.7 pt -100.71 152.02 5.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.455 ' HD3' ' N ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -112.14 155.02 24.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.611 ' HA ' HG22 ' A' ' 93' ' ' VAL . 51.8 m-85 -125.75 151.05 47.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 92' ' ' ASP . 27.6 mtt180 -152.14 158.94 43.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.453 ' CD2' ' HE3' ' A' ' 85' ' ' MET . 25.0 t80 -148.36 108.62 4.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.0 t70 68.3 27.89 6.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.46 33.49 31.36 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -142.24 144.0 29.67 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 0.0 110.954 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 122.75 9.42 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.74 2.293 . . . . 0.0 112.302 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.452 HD11 ' HB3' ' A' ' 67' ' ' PHE . 1.9 pt -105.75 152.6 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -122.22 161.03 24.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -64.44 -29.29 70.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 58.5 p -68.85 -44.29 73.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.55 146.43 25.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.04 157.76 33.54 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.59 0.71 . . . . 0.0 111.138 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.652 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.4 Cg_endo -69.81 -10.72 29.2 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.24 . . . . 0.0 112.336 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -90.73 -25.07 20.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -71.39 -34.63 70.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.4 mt -93.3 7.51 44.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 59.83 43.55 14.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.453 ' HE3' ' CD2' ' A' ' 69' ' ' PHE . 7.3 mtp -67.96 106.41 2.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 10.5 pt-20 -90.4 165.35 13.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -59.08 148.33 31.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 65.41 37.21 6.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 86' ' ' GLU . 27.8 m-20 -80.74 -176.17 5.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 88.7 m -144.51 120.28 10.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.799 ' HB ' HG22 ' A' ' 29' ' ' VAL . 2.8 mt -99.65 148.03 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 68' ' ' ARG . 0.9 OUTLIER -105.51 120.73 42.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.611 HG22 ' HA ' ' A' ' 67' ' ' PHE . 14.4 t -142.41 155.01 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.459 ' N ' ' CG1' ' A' ' 93' ' ' VAL . 1.5 m-85 -139.79 109.41 6.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.602 ' CB ' HG22 ' A' ' 65' ' ' ILE . 7.6 pm0 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.788 0.328 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.441 HD11 ' HB2' ' A' ' 80' ' ' PRO . 13.1 pt -113.57 154.97 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.584 ' C ' HD23 ' A' ' 27' ' ' LEU . 15.5 m-20 -116.48 131.95 56.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.911 ' CD1' HD11 ' A' ' 91' ' ' ILE . 2.2 mt -119.8 130.86 55.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -94.64 116.36 28.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.443 HG22 ' HB ' ' A' ' 91' ' ' ILE . 19.9 t -94.96 123.5 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.121 179.843 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.527 HG12 ' OE1' ' A' ' 38' ' ' GLN . 55.9 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.858 0.361 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.472 HG12 ' CE1' ' A' ' 39' ' ' PHE . 5.4 t -115.58 124.04 71.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.527 ' OE1' HG12 ' A' ' 36' ' ' VAL . 0.9 OUTLIER -97.24 164.34 12.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.712 ' CB ' HD13 ' A' ' 50' ' ' LEU . 70.5 m-85 -154.25 136.59 14.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.426 ' C ' ' HD2' ' A' ' 40' ' ' LYS . 0.5 OUTLIER -117.99 133.91 55.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.9 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.6 pt -147.74 -178.74 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -93.44 153.84 18.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.7 mtp85 -61.27 -31.36 71.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -96.66 4.78 51.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.9 m -95.7 129.91 33.22 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.599 0.714 . . . . 0.0 111.117 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 151.02 68.83 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.724 2.283 . . . . 0.0 112.324 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.761 HD22 HD23 ' A' ' 50' ' ' LEU . 44.6 mt -68.53 -11.68 60.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 p -41.72 -41.1 2.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.819 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -77.5 -47.99 18.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.761 HD23 HD22 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -50.35 -51.41 45.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.493 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 16.9 mtt -56.47 -53.4 57.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -52.19 -50.39 61.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.9 -22.49 59.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.124 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.648 ' CE2' HG11 ' A' ' 93' ' ' VAL . 77.7 t80 -87.44 -22.77 24.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.6 p -87.16 -34.1 19.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 5.8 pt-20 -70.99 -45.68 63.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.457 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 9.9 ttt-85 -46.28 -51.14 15.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.42 ' HG3' ' NE2' ' A' ' 95' ' ' GLN . 57.4 mm-40 -86.73 -30.0 21.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.85 32.94 7.66 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -102.05 175.13 5.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.844 0.354 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 m -94.98 136.85 34.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.433 ' CE ' ' HB2' ' A' ' 51' ' ' MET . 2.7 ttt -50.65 -49.21 57.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.5 ptp85 -65.68 -20.89 66.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -74.69 -37.38 62.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.2 pt -101.35 155.25 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.8 tpp180 -126.5 144.83 50.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.688 ' HB3' HD11 ' A' ' 74' ' ' ILE . 16.2 m-85 -114.66 142.57 46.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.413 ' HE ' ' CB ' ' A' ' 92' ' ' ASP . 25.8 ptt180 -151.27 143.77 24.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.545 ' CE1' ' CG ' ' A' ' 70' ' ' ASP . 6.9 t80 -131.09 131.05 43.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.545 ' CG ' ' CE1' ' A' ' 69' ' ' PHE . 5.0 m-20 63.58 29.89 15.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.14 27.61 59.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -138.57 142.83 35.82 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 110.875 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 111.83 2.91 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.683 2.256 . . . . 0.0 112.342 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.688 HD11 ' HB3' ' A' ' 67' ' ' PHE . 2.3 pt -93.11 146.12 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -105.87 157.25 17.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -60.59 -37.18 80.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 77.6 p -62.6 -42.82 99.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.166 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -55.16 147.09 17.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.94 160.8 24.88 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.574 0.702 . . . . 0.0 111.157 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.441 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.9 Cg_endo -69.74 -23.93 30.33 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.82 -25.27 48.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -71.7 -37.13 70.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 mt -96.49 26.05 4.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 40.16 49.76 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.4 mtt -66.6 119.56 11.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -88.66 177.31 6.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -78.52 150.35 32.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 57.35 29.79 17.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.444 ' HB3' HD22 ' A' ' 27' ' ' LEU . 5.0 t70 -66.16 -175.97 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.0 m -140.51 120.5 13.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.911 HD11 ' CD1' ' A' ' 27' ' ' LEU . 3.2 mt -100.49 146.1 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.413 ' CB ' ' HE ' ' A' ' 68' ' ' ARG . 5.5 m-20 -105.73 123.64 48.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.648 HG11 ' CE2' ' A' ' 54' ' ' TYR . 74.1 t -139.44 146.59 25.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 94' ' ' PHE . 4.1 m-85 -105.11 113.95 27.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.42 ' NE2' ' HG3' ' A' ' 58' ' ' GLN . 25.0 mt-30 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 p 40.32 41.88 1.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 m -89.26 172.21 9.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.814 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.04 159.63 15.18 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.438 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.4 p -170.29 172.69 6.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 0.0 110.865 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -160.83 149.58 16.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.94 -83.94 0.26 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.5 tpp 61.89 38.04 14.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.755 0.312 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.91 76.63 0.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.066 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -159.16 108.83 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -102.17 34.78 2.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.435 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 2.9 mmmm 61.12 54.35 3.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.583 0.706 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 53.9 Cg_endo -69.75 90.57 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.717 2.278 . . . . 0.0 112.34 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -159.07 164.62 35.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.5 mp0 -134.13 176.13 8.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -139.43 171.94 23.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.493 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.0 p -140.0 142.62 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.95 0.405 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -134.93 173.86 11.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.6 m -112.55 151.93 29.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.147 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -81.57 99.42 8.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -166.66 139.89 3.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -83.63 42.88 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -113.3 33.86 4.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.561 ' CE1' ' HG2' ' A' ' 42' ' ' LYS . 17.4 m-70 -136.48 161.99 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 32.1 pt -116.79 145.74 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -112.81 132.19 55.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.649 HD12 HD11 ' A' ' 91' ' ' ILE . 2.2 mt -119.51 132.6 55.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.625 ' O ' HG23 ' A' ' 90' ' ' THR . 18.9 mtmt -91.04 112.96 25.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.66 HG22 ' HB ' ' A' ' 91' ' ' ILE . 54.7 t -90.99 128.71 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.115 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.68 135.54 48.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.095 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -162.75 -52.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.47 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -65.89 170.46 5.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.812 0.339 . . . . 0.0 110.94 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -84.08 27.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.35 33.26 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.471 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 t -142.78 126.65 17.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.935 0.397 . . . . 0.0 110.812 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.9 t -114.37 131.43 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.089 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.2 t -108.1 122.47 62.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -90.59 161.54 15.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.609 ' CG ' HD13 ' A' ' 50' ' ' LEU . 95.8 m-85 -151.64 125.34 9.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -104.99 111.95 24.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.0 pt -133.71 179.59 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.561 ' HG2' ' CE1' ' A' ' 24' ' ' HIS . 29.1 mttp -94.57 158.44 15.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.638 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 7.8 ptp180 -72.57 -18.26 61.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.41 ' CD2' ' H ' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -112.24 35.62 3.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.613 HG23 ' HD2' ' A' ' 46' ' ' PRO . 51.7 m -128.06 137.17 30.25 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.595 0.712 . . . . 0.0 111.108 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.613 ' HD2' HG23 ' A' ' 45' ' ' THR . 53.5 Cg_endo -69.74 128.91 16.72 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 2.261 . . . . 0.0 112.321 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.604 HD22 HD23 ' A' ' 50' ' ' LEU . 62.4 mt -48.29 -19.44 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 47' ' ' LEU . 88.2 p -34.68 -58.5 0.5 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -48.27 81.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.609 HD13 ' CG ' ' A' ' 39' ' ' PHE . 1.3 tp -53.35 -58.94 5.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.964 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.431 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 4.0 mtt -52.0 -59.73 4.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -41.35 -50.1 3.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.87 -36.47 79.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.023 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.556 ' CE2' HG11 ' A' ' 93' ' ' VAL . 86.1 t80 -61.73 -29.4 70.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 59' ' ' GLY . 85.5 m -77.51 -60.07 2.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 57' ' ' ARG . 7.4 pt-20 -47.42 -41.31 19.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.454 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 47.3 ttt85 -53.28 -50.15 65.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.476 ' HG3' ' NE2' ' A' ' 95' ' ' GLN . 79.1 mm-40 -95.77 -0.38 51.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 63.7 31.51 81.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.2 mt -100.86 -175.85 3.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.8 t -115.48 138.65 50.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.6 ttm -48.64 -42.34 34.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.9 mtm105 -64.36 -55.17 22.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -46.33 -43.62 16.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 9.9 pt -99.47 172.8 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -145.62 146.65 31.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.929 ' HB3' HD11 ' A' ' 74' ' ' ILE . 96.1 m-85 -108.94 158.46 17.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -160.67 155.21 23.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.494 ' CD1' ' HE3' ' A' ' 85' ' ' MET . 88.3 t80 -140.84 111.09 6.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.3 t70 68.94 25.53 6.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.89 34.93 26.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -140.8 145.44 39.87 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.583 0.706 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 118.83 5.91 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.929 HD11 ' HB3' ' A' ' 67' ' ' PHE . 3.2 pt -104.71 145.8 12.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.199 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -113.18 133.77 54.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -41.37 -35.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 68.1 p -60.43 -44.31 95.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.31 157.12 6.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.507 HG22 ' C ' ' A' ' 45' ' ' THR . 0.8 OUTLIER -113.75 159.92 33.95 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.582 0.706 . . . . 0.0 111.162 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.44 ' CD ' ' O ' ' A' ' 45' ' ' THR . 53.9 Cg_endo -69.7 -14.1 35.77 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.387 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 43' ' ' ARG . . . -86.14 -27.68 24.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.054 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -71.87 -37.17 70.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 21.3 mt -87.75 3.91 46.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 62.5 39.18 11.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.494 ' HE3' ' CD1' ' A' ' 69' ' ' PHE . 7.6 mtt -62.24 107.27 0.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.7 mp0 -77.61 179.42 6.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -79.48 145.11 33.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.84 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 62.51 40.29 10.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -85.59 -175.63 5.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.625 HG23 ' O ' ' A' ' 28' ' ' LYS . 25.6 m -138.31 133.46 33.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.152 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.66 ' HB ' HG22 ' A' ' 29' ' ' VAL . 17.0 mt -98.24 157.97 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.48 ' N ' HG22 ' A' ' 91' ' ' ILE . 1.0 OUTLIER -110.23 120.78 43.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.556 HG11 ' CE2' ' A' ' 54' ' ' TYR . 60.8 t -145.69 153.78 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.431 ' N ' HG12 ' A' ' 93' ' ' VAL . 6.8 m-85 -118.25 110.21 17.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.476 ' NE2' ' HG3' ' A' ' 58' ' ' GLN . 15.0 mt-30 -93.69 104.25 16.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -87.24 145.37 26.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -85.93 99.48 11.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 25.3 p -132.22 89.53 2.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.7 p -60.38 154.46 20.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -115.74 146.24 18.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.45 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -41.5 4.24 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.658 2.239 . . . . 0.0 112.342 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.9 t -89.11 154.21 20.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.6 p -118.12 154.47 32.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.465 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.4 p -175.01 160.51 2.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 110.838 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.9 m -155.45 165.94 35.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.32 -170.57 17.7 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t -138.92 165.48 26.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.2 m -133.48 165.11 25.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.84 140.04 6.08 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.0 mmt -137.66 137.08 38.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.35 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.97 152.94 49.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.07 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -109.78 101.15 10.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -131.78 46.08 2.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.481 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 14.5 tppt? 54.98 52.09 7.99 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.562 0.696 . . . . 0.0 110.856 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 53.6 Cg_endo -69.81 0.06 6.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.669 2.246 . . . . 0.0 112.352 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -73.23 -47.76 40.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.859 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -54.17 -69.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 49.66 -179.25 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.7 t -125.44 142.91 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.898 0.38 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 19' ' ' THR . 7.3 tmtm? -113.39 60.25 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 18' ' ' LYS . 5.8 m 34.54 46.56 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -45.46 134.62 6.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.507 ' HB2' ' CD2' ' A' ' 24' ' ' HIS . 78.0 m-20 -116.38 169.49 9.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.946 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 23' ' ' ASP . 25.6 m-20 -88.69 -41.93 12.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 22' ' ' ASN . 24.2 t70 -34.85 -50.43 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.507 ' CD2' ' HB2' ' A' ' 21' ' ' ASN . 59.9 m-70 -53.45 166.2 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.566 HG21 ' HE ' ' A' ' 43' ' ' ARG . 49.6 pt -130.28 144.74 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -110.87 128.23 55.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.752 HD12 HD11 ' A' ' 91' ' ' ILE . 6.1 mt -115.95 133.07 56.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.7 ' O ' HG23 ' A' ' 90' ' ' THR . 6.2 mtmp? -90.92 113.03 25.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.454 HG11 ' CE1' ' A' ' 54' ' ' TYR . 16.7 t -89.9 117.1 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.149 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.09 123.06 44.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -104.95 145.3 15.9 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.522 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -46.07 -33.05 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 110.881 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 34' ' ' GLY . 63.9 m-20 -86.71 49.01 1.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 33' ' ' ASP . . . 34.71 51.97 0.8 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.3 t -119.04 120.59 37.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.884 0.373 . . . . 0.0 110.881 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 85.8 t -107.64 119.55 57.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.508 HG12 ' CE1' ' A' ' 39' ' ' PHE . 13.5 t -128.15 122.67 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.4 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 26.3 mt-30 -92.37 163.32 13.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.674 ' CG ' HD13 ' A' ' 50' ' ' LEU . 88.9 m-85 -153.72 123.36 6.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -103.57 109.45 21.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.6 pt -133.4 178.52 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -90.76 168.62 11.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.566 ' HE ' HG21 ' A' ' 25' ' ' ILE . 19.2 mmt85 -77.57 -34.41 53.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -98.29 37.98 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.577 ' C ' HG22 ' A' ' 79' ' ' THR . 30.4 m -126.35 134.66 26.21 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.587 0.708 . . . . 0.0 111.149 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.494 ' HD2' HG23 ' A' ' 45' ' ' THR . 53.6 Cg_endo -69.8 129.83 18.24 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.664 2.243 . . . . 0.0 112.362 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.681 HD22 HD23 ' A' ' 50' ' ' LEU . 54.0 mt -51.98 -16.46 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 47' ' ' LEU . 3.2 p -36.4 -40.79 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -77.11 -41.64 41.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.681 HD23 HD22 ' A' ' 47' ' ' LEU . 1.1 tp -58.95 -53.61 56.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.486 ' C ' ' HE1' ' A' ' 62' ' ' MET . 1.8 mtt -59.01 -54.54 45.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.455 ' N ' ' HE1' ' A' ' 62' ' ' MET . 37.7 mttt -51.02 -44.91 61.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.83 -23.0 67.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.665 ' CE2' HG11 ' A' ' 93' ' ' VAL . 68.8 t80 -80.06 -46.18 16.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 15.3 p -68.5 -37.52 80.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 6.0 pt-20 -69.45 -45.53 68.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.457 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 18.8 ttt-85 -42.57 -50.41 5.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -87.73 -45.31 10.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.28 32.96 2.85 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.586 HD11 ' OE1' ' A' ' 95' ' ' GLN . 3.0 mt -100.27 173.69 6.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.82 0.343 . . . . 0.0 110.936 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.0 m -88.59 137.67 32.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.823 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.486 ' HE1' ' C ' ' A' ' 51' ' ' MET . 0.3 OUTLIER -60.81 -24.82 66.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.4 ptt-85 -82.04 -24.87 35.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -76.58 -41.59 45.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.617 HG22 ' HA ' ' A' ' 95' ' ' GLN . 2.6 pp -104.03 160.59 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.448 ' O ' HG13 ' A' ' 93' ' ' VAL . 38.0 mmt-85 -140.36 167.91 21.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.446 ' CZ ' ' HA ' ' A' ' 51' ' ' MET . 21.8 m-85 -123.1 154.49 38.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -151.45 157.6 42.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -145.55 121.51 10.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.1 t0 58.52 30.28 19.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.847 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.78 33.34 42.43 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.457 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -142.31 142.16 23.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.602 0.715 . . . . 0.0 110.937 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 118.01 5.42 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.683 2.256 . . . . 0.0 112.342 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.504 HG22 HD11 ' A' ' 83' ' ' LEU . 2.4 pt -100.15 147.3 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -110.85 154.86 23.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -62.02 -39.54 92.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 82.4 p -60.33 -29.54 68.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.62 158.42 36.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.831 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.577 HG22 ' C ' ' A' ' 45' ' ' THR . 0.8 OUTLIER -114.77 159.86 35.67 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.638 0.732 . . . . 0.0 111.136 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.462 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.9 Cg_endo -69.69 -17.49 37.88 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.701 2.268 . . . . 0.0 112.358 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.08 -26.08 31.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.07 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -72.92 -31.73 64.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.504 HD11 HG22 ' A' ' 74' ' ' ILE . 11.4 mt -98.82 19.75 14.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 47.16 40.75 10.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.9 mtt -61.57 99.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 54.4 mt-10 -74.79 166.62 23.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -67.36 165.58 16.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 50.23 28.65 3.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.532 ' HB2' HD22 ' A' ' 27' ' ' LEU . 5.7 m-20 -75.32 -175.74 2.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.7 HG23 ' O ' ' A' ' 28' ' ' LYS . 96.9 m -147.07 126.92 13.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.166 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.752 HD11 HD12 ' A' ' 27' ' ' LEU . 7.9 mt -98.23 153.8 3.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.145 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -112.42 120.75 42.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.665 HG11 ' CE2' ' A' ' 54' ' ' TYR . 53.5 t -135.23 151.68 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.512 ' O ' HG22 ' A' ' 65' ' ' ILE . 5.6 m-85 -114.33 109.45 18.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.617 ' HA ' HG22 ' A' ' 65' ' ' ILE . 19.4 mt-30 -96.98 104.83 16.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -73.8 134.42 43.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -59.66 110.14 1.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.6 t -63.72 159.58 18.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.9 p -114.95 140.19 49.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 117.75 169.83 14.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.5 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 137.27 34.88 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.628 2.219 . . . . 0.0 112.325 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 80.7 p -170.8 176.85 4.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.824 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.1 m -118.74 -61.76 1.61 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t -54.68 -47.42 73.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.918 0.39 . . . . 0.0 110.891 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.1 p -54.87 134.7 48.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.837 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.16 159.34 14.61 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -154.15 106.26 2.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.369 . . . . 0.0 110.883 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.7 t -127.57 166.36 18.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.39 129.11 36.42 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.543 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.19 137.93 53.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.531 ' HB1' ' OE1' ' A' ' 11' ' ' GLU . . . -171.21 123.14 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -121.23 85.22 2.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.531 ' OE1' ' HB1' ' A' ' 9' ' ' ALA . 0.9 OUTLIER -102.87 49.29 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.452 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 15.0 ptpt 34.33 54.03 1.53 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.452 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 53.7 Cg_endo -69.79 0.4 5.73 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.706 2.27 . . . . 0.0 112.335 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -72.64 94.26 1.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -154.03 156.92 38.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.52 128.22 4.75 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.494 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.8 p -85.29 141.03 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.933 0.397 . . . . 0.0 111.133 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -81.6 -46.09 14.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.3 p -98.02 131.07 44.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -118.08 92.98 3.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -59.22 -48.41 81.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.456 ' HB3' ' CD2' ' A' ' 24' ' ' HIS . 5.0 m120 -92.43 170.8 9.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.595 ' O ' ' CD2' ' A' ' 24' ' ' HIS . 6.9 m-20 -99.99 114.4 27.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.595 ' CD2' ' O ' ' A' ' 23' ' ' ASP . 40.6 m-70 -159.75 170.93 20.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.0 pt -127.86 148.77 32.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -116.55 130.85 56.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.677 ' HB2' HD11 ' A' ' 91' ' ' ILE . 3.6 mt -116.58 131.51 56.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.444 ' O ' HG23 ' A' ' 90' ' ' THR . 23.6 mtmt -91.03 111.57 23.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.818 HG22 HD12 ' A' ' 91' ' ' ILE . 7.5 t -90.11 125.12 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.12 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.47 144.01 32.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -174.13 -42.25 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.502 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -76.88 164.89 25.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.758 0.313 . . . . 0.0 110.954 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -83.69 31.51 0.47 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.83 31.93 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.455 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.9 t -146.24 133.93 21.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.913 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.9 t -125.39 132.42 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.152 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.604 HG12 ' CE1' ' A' ' 39' ' ' PHE . 23.7 t -107.89 122.37 62.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -91.41 162.18 14.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.637 ' CG ' HD13 ' A' ' 50' ' ' LEU . 91.3 m-85 -152.81 122.5 6.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.1 tttm -105.12 110.06 22.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.7 pt -132.5 177.14 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.421 ' HG2' ' CE1' ' A' ' 24' ' ' HIS . 34.2 mttp -89.11 157.31 18.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 51.0 mtp180 -63.7 -38.74 92.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.51 ' CG ' ' O ' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -95.43 41.23 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.647 ' C ' HG22 ' A' ' 79' ' ' THR . 3.2 m -123.77 133.25 24.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.591 0.71 . . . . 0.0 111.109 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.402 ' C ' ' N ' ' A' ' 48' ' ' SER . 54.0 Cg_endo -69.72 122.19 8.88 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.506 HD22 HD23 ' A' ' 50' ' ' LEU . 72.4 mt -44.54 -22.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 47' ' ' LEU . 46.5 t -34.32 -61.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -54.65 -46.76 74.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.637 HD13 ' CG ' ' A' ' 39' ' ' PHE . 2.8 tp -55.56 -57.73 10.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.494 ' O ' ' N ' ' A' ' 54' ' ' TYR . 2.3 mtt -55.1 -66.38 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' MET . 42.7 mttt -38.12 -46.62 1.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.64 -36.89 85.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.537 ' CE2' HG11 ' A' ' 93' ' ' VAL . 87.5 t80 -58.52 -29.61 66.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 59' ' ' GLY . 86.3 m -77.21 -57.37 3.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.839 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.407 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 5.2 pt-20 -53.3 -42.38 66.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.428 ' HD3' HG11 ' A' ' 37' ' ' VAL . 50.7 ttt180 -51.41 -49.67 61.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -99.35 5.04 46.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 56.61 35.92 69.1 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.483 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 75.5 mt -98.6 178.73 4.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.856 0.36 . . . . 0.0 110.934 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.2 m -102.19 131.1 48.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.2 tpt -52.86 -55.61 21.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.47 -40.03 81.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.851 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -60.6 -35.03 75.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.5 pt -103.3 168.21 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.494 ' O ' HG13 ' A' ' 93' ' ' VAL . 31.9 mmt-85 -144.41 155.45 43.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.846 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.858 ' HB3' HD11 ' A' ' 74' ' ' ILE . 95.0 m-85 -117.07 152.15 35.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -154.45 157.0 37.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -144.09 129.78 19.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.4 t0 50.59 26.5 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.59 36.01 30.89 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -140.22 145.41 41.49 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.609 0.719 . . . . 0.0 110.873 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 116.12 4.41 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.718 2.279 . . . . 0.0 112.326 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.858 HD11 ' HB3' ' A' ' 67' ' ' PHE . 9.6 pt -100.84 155.77 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -122.42 150.04 43.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -58.75 -33.39 70.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.7 p -67.86 -27.36 66.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -72.63 156.54 38.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.647 HG22 ' C ' ' A' ' 45' ' ' THR . 0.9 OUTLIER -114.71 159.63 36.45 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.637 0.732 . . . . 0.0 111.117 -179.887 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.446 ' CD ' ' O ' ' A' ' 45' ' ' THR . 53.5 Cg_endo -69.76 -15.14 36.94 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.721 2.281 . . . . 0.0 112.282 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.68 -23.87 27.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.086 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -76.02 -32.96 59.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.0 mt -95.51 7.59 45.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 60.66 36.22 19.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 7.1 mtt -57.42 99.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -71.69 177.41 4.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -77.42 152.82 34.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 59.19 27.16 16.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.456 ' HB3' HD22 ' A' ' 27' ' ' LEU . 17.3 t70 -72.2 173.57 8.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 28' ' ' LYS . 33.5 m -131.61 129.84 41.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.818 HD12 HG22 ' A' ' 29' ' ' VAL . 13.0 mt -98.35 152.83 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -106.01 120.71 42.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.537 HG11 ' CE2' ' A' ' 54' ' ' TYR . 59.4 t -144.13 143.47 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -109.69 109.45 20.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -89.69 103.29 15.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -67.47 139.82 57.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -61.27 105.28 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 27.8 m -38.02 117.12 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.3 p -80.92 82.9 6.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 65.28 86.96 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 109.27 2.26 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.728 2.285 . . . . 0.0 112.368 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.7 m 56.91 38.46 29.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 89.8 p -130.5 175.29 9.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.503 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -153.92 175.24 13.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.378 . . . . 0.0 110.883 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.5 p -163.58 165.63 23.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.73 178.08 18.37 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.9 m -157.95 159.84 36.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 110.873 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.0 p -135.58 171.59 14.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.01 173.29 16.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 ttt -112.16 144.95 40.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.783 0.325 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -93.46 94.19 8.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -72.32 97.17 1.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -93.76 59.0 2.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.466 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 5.4 mtmp? 46.58 52.89 12.51 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.569 0.7 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 53.8 Cg_endo -69.75 80.52 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.688 2.259 . . . . 0.0 112.356 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -149.99 152.23 34.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -167.4 150.94 6.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -113.94 108.62 2.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.8 t -107.86 102.68 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.365 . . . . 0.0 111.114 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.8 118.76 32.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.5 m -94.69 128.33 41.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.171 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -96.21 -42.2 8.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -144.83 158.96 43.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -91.1 51.51 1.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.524 ' C ' ' CD2' ' A' ' 24' ' ' HIS . 2.5 m-20 -100.01 32.8 2.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.524 ' CD2' ' C ' ' A' ' 23' ' ' ASP . 1.0 OUTLIER -153.12 155.22 36.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.65 HD11 ' HB2' ' A' ' 80' ' ' PRO . 39.8 pt -125.71 140.68 47.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.12 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.509 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -89.1 139.09 30.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.625 ' CD1' HD11 ' A' ' 91' ' ' ILE . 3.5 mt -135.22 121.95 20.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.491 ' O ' HG23 ' A' ' 90' ' ' THR . 22.2 mtmt -92.05 111.72 23.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.782 HG22 ' HB ' ' A' ' 91' ' ' ILE . 11.7 t -92.01 134.59 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.41 124.07 44.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -160.42 -50.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.47 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.457 ' OE1' ' CB ' ' A' ' 35' ' ' SER . 17.7 mt-30 -49.11 176.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.769 0.319 . . . . 0.0 110.969 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -83.27 20.54 1.27 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 145.31 39.8 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.516 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.457 ' CB ' ' OE1' ' A' ' 32' ' ' GLN . 1.1 t -145.43 120.23 9.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.931 0.396 . . . . 0.0 110.873 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.4 t -99.88 126.25 53.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.5 t -107.51 122.1 61.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -95.52 152.64 18.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.512 ' CG ' HD13 ' A' ' 50' ' ' LEU . 72.6 m-85 -140.64 126.06 18.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.9 tttt -106.84 102.11 11.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.3 pt -122.25 171.68 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.426 ' HE3' ' CE1' ' A' ' 24' ' ' HIS . 16.3 mtpt -79.46 139.79 37.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.491 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 1.2 ppt_? -58.11 -20.62 41.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.417 ' NE2' ' HD3' ' A' ' 42' ' ' LYS . 2.6 p-80 -103.98 1.57 31.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.407 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 1.8 m -93.22 131.8 32.07 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 111.147 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 132.06 22.59 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.669 2.246 . . . . 0.0 112.374 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.573 HD22 HD23 ' A' ' 50' ' ' LEU . 36.4 mt -46.59 -20.6 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' LEU . 79.9 p -34.36 -54.62 0.52 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -65.36 -46.3 80.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.573 HD23 HD22 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -53.16 -58.03 8.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.963 179.849 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.444 ' C ' ' HE1' ' A' ' 62' ' ' MET . 2.6 mtt -52.73 -52.05 57.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.466 ' N ' ' HE1' ' A' ' 62' ' ' MET . 10.8 mtpp -53.69 -32.9 53.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.13 -25.35 42.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.618 ' CE1' HG11 ' A' ' 93' ' ' VAL . 55.1 t80 -80.18 -36.68 34.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 16.0 p -75.18 -35.3 61.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -75.2 -41.56 57.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -49.66 -48.96 49.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -87.22 -46.29 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.63 28.3 3.52 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 mt -101.33 172.86 6.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.342 . . . . 0.0 110.95 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.9 t -96.19 146.67 24.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.466 ' HE1' ' N ' ' A' ' 52' ' ' LYS . 3.6 mmt -59.27 -42.47 91.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -30.02 69.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -70.23 -38.74 75.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.541 HG22 ' O ' ' A' ' 94' ' ' PHE . 37.7 pt -102.95 158.92 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.3 mmt-85 -138.16 128.11 25.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.713 ' HB3' HD11 ' A' ' 74' ' ' ILE . 77.6 m-85 -90.62 148.01 22.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -150.43 155.28 39.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.455 ' CG ' ' HE3' ' A' ' 85' ' ' MET . 78.4 t80 -145.68 108.49 4.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.2 t70 72.83 26.42 2.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.32 35.24 34.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.502 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -140.56 142.87 30.51 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.64 0.733 . . . . 0.0 110.919 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 120.43 7.23 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.652 2.235 . . . . 0.0 112.355 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.713 HD11 ' HB3' ' A' ' 67' ' ' PHE . 6.6 pt -105.62 144.35 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -116.29 147.21 41.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -49.7 -41.99 44.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.3 p -54.77 -42.61 71.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -63.13 145.47 55.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.64 160.53 26.25 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.556 0.693 . . . . 0.0 111.198 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.65 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.7 Cg_endo -69.71 -17.78 37.6 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.711 2.274 . . . . 0.0 112.328 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 43' ' ' ARG . . . -83.38 -30.12 27.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.47 -40.7 93.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 mt -84.44 5.38 27.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 60.93 43.47 11.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.455 ' HE3' ' CG ' ' A' ' 69' ' ' PHE . 10.7 mtp -71.57 106.68 4.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 16.3 pt-20 -84.76 167.58 15.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -61.42 146.68 47.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 67.47 36.55 3.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 86' ' ' GLU . 17.8 m-20 -81.16 -176.15 5.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.838 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 28' ' ' LYS . 96.6 m -140.68 126.48 19.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.782 ' HB ' HG22 ' A' ' 29' ' ' VAL . 6.8 mt -100.17 145.55 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -105.84 121.41 43.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.618 HG11 ' CE1' ' A' ' 54' ' ' TYR . 91.3 t -141.66 151.58 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.541 ' O ' HG22 ' A' ' 65' ' ' ILE . 40.0 m-85 -112.31 112.08 23.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -90.93 109.64 20.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -81.43 115.56 20.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.845 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -62.62 104.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 32.1 p -73.24 93.39 1.87 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.8 t -114.47 90.55 3.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 158.44 165.96 16.7 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 178.56 4.44 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.353 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.1 t 67.05 42.29 2.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.2 m -103.68 83.6 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.511 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t 49.47 51.24 16.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.895 0.379 . . . . 0.0 110.889 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 m -92.52 173.6 7.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.856 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.35 -79.29 0.26 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.4 p 43.76 49.84 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 0.0 110.866 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 p -112.89 169.83 8.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.421 ' C ' ' SD ' ' A' ' 8' ' ' MET . . . 145.44 115.24 0.95 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.421 ' SD ' ' C ' ' A' ' 7' ' ' GLY . 4.7 mpp? -141.2 160.37 40.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -142.45 176.12 9.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -129.49 76.83 1.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -97.98 -22.45 16.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.494 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 13.4 mtpp -62.54 -59.97 11.26 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.579 0.704 . . . . 0.0 110.851 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 53.5 Cg_endo -69.78 1.89 4.04 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.716 2.277 . . . . 0.0 112.312 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.04 134.88 33.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -140.16 173.69 11.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -143.27 144.0 13.17 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.463 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.0 t -102.95 118.61 50.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 111.136 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.5 tttp -116.65 123.9 48.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.0 m -115.92 153.79 30.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -114.9 -27.54 7.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -56.4 -59.88 4.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -63.06 167.01 5.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.43 132.64 37.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -136.32 159.49 41.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.563 HD12 ' HB3' ' A' ' 85' ' ' MET . 5.7 pt -119.2 151.48 21.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -116.22 130.26 56.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.787 HD12 HD11 ' A' ' 91' ' ' ILE . 2.7 mt -118.3 131.18 56.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.3 mttt -93.55 116.71 29.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.774 HG22 ' HB ' ' A' ' 91' ' ' ILE . 45.0 t -94.08 131.78 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.42 140.79 41.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -146.36 -156.07 6.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.499 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -79.2 148.2 32.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.827 0.346 . . . . 0.0 110.915 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 34' ' ' GLY . 5.7 t70 72.54 44.1 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 33' ' ' ASP . . . 35.78 44.85 0.73 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.512 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.6 t -97.21 122.95 40.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 110.88 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.2 t -116.55 114.3 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.125 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.8 t -111.19 123.36 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -94.16 159.35 15.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.576 ' CG ' HD13 ' A' ' 50' ' ' LEU . 93.3 m-85 -150.35 127.86 11.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.7 tttp -110.97 110.62 21.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.8 pt -129.85 178.13 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.142 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -88.15 159.04 18.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.612 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 13.2 ptt180 -72.69 -13.41 61.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -113.66 19.35 16.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.4 m -111.01 132.11 21.83 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 111.132 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 131.74 21.86 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.682 HD22 HD23 ' A' ' 50' ' ' LEU . 27.0 mt -49.41 -19.28 0.5 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.957 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 47' ' ' LEU . 89.8 p -35.5 -52.6 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -66.97 -41.16 87.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.682 HD23 HD22 ' A' ' 47' ' ' LEU . 0.8 OUTLIER -56.5 -57.18 13.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.492 ' HB3' ' CZ ' ' A' ' 67' ' ' PHE . 3.6 mtt -53.78 -57.76 9.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -43.19 -56.21 3.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.91 -38.24 64.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.111 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.466 ' CE1' HG11 ' A' ' 93' ' ' VAL . 59.4 t80 -67.46 -23.9 65.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 78.9 m -85.63 -43.06 13.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -70.14 -42.61 72.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.7 ttm-85 -47.69 -45.28 28.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.455 ' HG3' ' NE2' ' A' ' 95' ' ' GLN . 35.0 mm-40 -90.7 -59.12 2.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 131.64 30.06 0.56 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mt -108.15 176.68 5.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.34 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 t -102.87 169.62 8.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 58.7 mmm -79.08 -45.19 20.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.0 -3.93 25.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 96' ' ' GLN . 24.4 tt0 -95.84 -31.42 13.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.6 pt -113.6 164.71 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -134.77 147.87 50.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 51' ' ' MET . 77.0 m-85 -111.27 144.99 39.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 24.6 mtt-85 -138.15 152.06 48.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.61 ' CD1' ' CE ' ' A' ' 85' ' ' MET . 66.3 t80 -142.87 106.02 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.5 t0 69.62 28.83 4.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.86 29.27 43.04 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -141.77 146.01 39.29 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.631 0.729 . . . . 0.0 110.877 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 128.61 16.3 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.596 HD13 ' HB2' ' A' ' 69' ' ' PHE . 1.4 pt -112.34 135.75 50.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.124 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.453 ' H ' ' ND2' ' A' ' 75' ' ' ASN . 0.0 OUTLIER -98.05 150.16 21.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -58.14 -30.01 66.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 59.7 p -68.5 -43.08 77.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.172 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.447 ' CG ' ' OD1' ' A' ' 75' ' ' ASN . 29.2 m-20 -55.26 151.99 8.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.35 160.81 27.05 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.563 0.696 . . . . 0.0 111.141 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -20.28 34.91 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.656 2.237 . . . . 0.0 112.355 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 43' ' ' ARG . . . -79.37 -30.58 42.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.93 -40.91 95.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.6 mt -90.35 9.17 29.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 85' ' ' MET . 8.3 mt-10 55.36 33.56 21.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.61 ' CE ' ' CD1' ' A' ' 69' ' ' PHE . 3.3 mmt -37.05 119.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -78.89 162.71 25.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.57 133.84 44.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 64.38 33.93 10.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -68.24 -174.99 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.9 m -135.72 123.41 22.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.152 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.787 HD11 HD12 ' A' ' 27' ' ' LEU . 5.8 mt -98.56 144.56 11.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -106.3 123.43 48.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.523 HG12 ' N ' ' A' ' 94' ' ' PHE . 91.4 t -140.01 158.55 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.523 ' N ' HG12 ' A' ' 93' ' ' VAL . 1.0 OUTLIER -119.1 121.19 39.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.455 ' NE2' ' HG3' ' A' ' 58' ' ' GLN . 31.5 mt-30 -101.21 108.16 19.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.439 ' O ' ' NE2' ' A' ' 64' ' ' GLN . 40.4 tt0 -104.75 119.11 38.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -39.13 125.57 1.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 92.6 m -78.24 127.91 32.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.0 t -91.71 106.94 18.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -173.54 -175.95 41.65 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 102' ' ' SER . 53.5 Cg_endo -69.76 -1.13 7.95 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.645 2.23 . . . . 0.0 112.337 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 101' ' ' PRO . 1.1 t -36.07 118.6 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.2 t -129.05 -175.11 3.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m -111.43 42.75 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 110.849 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.5 p -40.83 -53.54 2.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.99 135.45 2.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.531 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -62.52 -34.09 76.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.872 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m 52.2 46.47 26.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.44 -120.42 1.33 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.459 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 ttt -80.23 115.86 20.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.851 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.64 86.53 6.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -112.55 88.67 2.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 12' ' ' LYS . 32.8 mt-10 -91.38 42.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.447 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.1 OUTLIER 36.98 53.7 2.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.632 0.73 . . . . 0.0 110.929 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 53.6 Cg_endo -69.75 119.52 6.45 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 2.252 . . . . 0.0 112.313 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.7 OUTLIER -154.82 172.63 17.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -85.57 176.25 8.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -133.37 129.79 5.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.4 p -129.88 130.72 66.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.93 0.395 . . . . 0.0 111.12 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' N ' ' HD2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -79.05 124.14 27.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.4 p -101.09 169.7 8.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -109.42 87.41 2.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -124.58 179.69 4.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -117.25 -179.69 3.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 t70 73.83 31.54 1.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.559 ' CE1' ' HG2' ' A' ' 42' ' ' LYS . 15.2 m-70 -100.54 160.32 14.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.608 HD11 ' HB2' ' A' ' 80' ' ' PRO . 16.6 pt -116.96 143.49 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -106.94 124.94 50.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.656 ' CD1' HD11 ' A' ' 91' ' ' ILE . 2.2 mt -115.28 125.85 53.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -90.92 115.44 27.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.773 HG22 ' HB ' ' A' ' 91' ' ' ILE . 57.5 t -92.1 113.32 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.05 126.0 36.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.062 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.49 161.83 12.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.488 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -58.72 -35.8 73.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.338 . . . . 0.0 110.888 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -52.77 -38.76 61.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.76 -39.34 2.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.541 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.5 m -58.68 177.48 0.14 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.925 0.393 . . . . 0.0 110.843 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 87.8 t -140.32 124.91 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.109 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.439 HG12 ' CE1' ' A' ' 39' ' ' PHE . 14.6 t -107.25 121.98 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -96.71 161.55 13.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.78 ' CG ' HD13 ' A' ' 50' ' ' LEU . 96.9 m-85 -150.56 136.58 18.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -118.58 105.82 12.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.9 pt -128.24 177.47 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.559 ' HG2' ' CE1' ' A' ' 24' ' ' HIS . 36.8 mttp -88.55 160.54 17.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -67.86 -37.75 82.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -84.08 -7.7 59.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.482 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 13.7 m -83.73 130.33 56.01 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.552 0.692 . . . . 0.0 111.143 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 137.82 36.38 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.253 . . . . 0.0 112.343 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.531 HD22 HD23 ' A' ' 50' ' ' LEU . 69.5 mt -51.55 -21.26 2.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 47' ' ' LEU . 8.9 t -34.96 -62.27 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.9 mmtm -53.12 -45.37 68.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.78 HD13 ' CG ' ' A' ' 39' ' ' PHE . 1.3 tp -57.32 -61.37 2.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.971 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.437 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 2.4 mtt -49.32 -68.21 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -37.84 -52.92 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.22 -45.31 68.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.424 ' CE2' HG11 ' A' ' 93' ' ' VAL . 84.4 t80 -53.95 -29.64 43.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.487 ' SG ' HD11 ' A' ' 65' ' ' ILE . 7.7 m -77.61 -59.56 2.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -53.73 -41.21 66.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 44.6 ttm-85 -44.98 -46.84 11.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -95.19 -57.8 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.54 32.99 0.5 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.492 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mt -107.81 178.35 4.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.35 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 t -92.69 135.54 34.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.74 -30.98 57.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -77.12 -48.02 18.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -47.78 -41.09 22.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.487 HD11 ' SG ' ' A' ' 55' ' ' CYS . 31.1 pt -97.8 156.49 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -130.31 150.06 51.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.57 ' HB3' HD11 ' A' ' 74' ' ' ILE . 89.9 m-85 -116.16 146.76 42.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.483 ' CG ' ' HB3' ' A' ' 92' ' ' ASP . 9.6 ptt180 -153.41 141.12 19.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.457 ' HB3' ' CG2' ' A' ' 74' ' ' ILE . 48.3 t80 -126.22 130.85 51.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.0 t70 62.9 32.91 15.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.03 28.87 63.64 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.505 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -141.34 146.65 43.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.592 0.71 . . . . 0.0 110.907 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 112.25 3.03 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.646 2.231 . . . . 0.0 112.337 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.57 HD11 ' HB3' ' A' ' 67' ' ' PHE . 3.8 pt -93.79 148.71 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -114.15 144.96 42.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.429 ' HB2' ' CB ' ' A' ' 48' ' ' SER . 13.1 pt-20 -49.74 -43.19 47.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 69.9 p -51.83 -48.2 64.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -57.08 156.37 7.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -110.59 158.21 36.14 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.595 0.712 . . . . 0.0 111.102 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.608 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.9 Cg_endo -69.75 -10.47 28.65 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.638 2.226 . . . . 0.0 112.369 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -90.45 -28.77 18.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -68.93 -35.93 77.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.957 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.7 mt -90.13 3.3 53.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 61.93 36.4 15.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.7 mtt -51.18 106.74 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -72.24 171.59 11.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -69.43 155.22 40.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 87' ' ' ASP . 11.0 pt-20 43.72 38.56 2.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -66.15 -175.25 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 85.2 m -141.7 118.9 11.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.773 ' HB ' HG22 ' A' ' 29' ' ' VAL . 4.7 mt -98.21 147.26 6.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.483 ' HB3' ' CG ' ' A' ' 68' ' ' ARG . 2.9 t70 -108.81 120.84 43.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.491 HG23 HG13 ' A' ' 29' ' ' VAL . 90.9 t -132.19 156.17 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.481 ' N ' HG12 ' A' ' 93' ' ' VAL . 2.5 m-85 -114.45 109.58 18.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -92.48 104.02 16.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -71.71 158.21 36.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.948 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -93.65 107.08 18.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.5 t -99.49 131.9 45.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.4 t -56.94 115.71 2.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 105.62 65.07 0.65 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 141.76 46.2 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.34 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 68.7 p -114.48 94.25 4.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 34.1 m -158.0 140.72 14.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.95 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 t -166.17 144.26 5.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 110.852 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.3 m -63.09 -56.96 12.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.99 173.37 14.07 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.451 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -168.4 151.44 5.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.922 0.391 . . . . 0.0 110.851 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -121.53 171.29 8.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.57 -154.18 6.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -83.25 124.83 30.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.84 107.49 19.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -83.09 46.54 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -79.32 -57.4 3.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.492 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 27.6 mtmt -39.48 -59.88 1.46 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.59 0.709 . . . . 0.0 110.937 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 53.1 Cg_endo -69.8 154.64 67.36 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.327 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.3 mttp 55.38 41.51 31.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -79.4 127.27 31.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.79 81.65 0.57 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.0 p -154.87 123.62 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.917 0.389 . . . . 0.0 111.147 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -126.88 157.93 38.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 36.2 p -78.03 50.0 0.85 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -101.26 172.31 7.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -99.5 122.97 43.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.72 122.95 16.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.14 -61.03 1.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -76.52 162.56 27.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.836 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.555 HD11 ' HB2' ' A' ' 80' ' ' PRO . 7.8 pt -125.52 144.96 33.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -112.57 115.15 28.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.8 ' HB2' HD11 ' A' ' 91' ' ' ILE . 6.8 mt -103.48 130.61 50.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -91.08 112.15 23.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.681 HG22 HD12 ' A' ' 91' ' ' ILE . 40.8 t -93.07 130.98 41.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.92 128.57 54.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.12 -37.16 0.48 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -131.55 167.91 18.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 110.932 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -85.11 28.68 0.7 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -166.17 24.0 0.14 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.4 t -158.92 152.45 22.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.864 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 76.7 t -148.56 135.16 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.182 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.4 t -117.78 121.9 68.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -101.1 163.5 12.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.787 ' CG ' HD13 ' A' ' 50' ' ' LEU . 91.7 m-85 -153.46 124.62 7.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -108.33 111.07 22.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.2 pt -132.1 178.32 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -88.68 159.63 17.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.2 ptt85 -66.66 -33.42 75.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -89.24 -8.08 54.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.473 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 2.4 m -82.29 130.62 58.8 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.577 0.703 . . . . 0.0 111.143 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 150.8 68.79 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.697 2.265 . . . . 0.0 112.34 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.528 HD22 HD23 ' A' ' 50' ' ' LEU . 70.8 mt -66.43 -17.86 65.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.427 ' CB ' ' HB2' ' A' ' 76' ' ' GLU . 13.9 t -39.17 -54.87 1.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.833 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.9 mttm -61.37 -42.64 99.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.787 HD13 ' CG ' ' A' ' 39' ' ' PHE . 1.0 OUTLIER -57.59 -59.92 4.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.554 ' HG2' ' CD1' ' A' ' 67' ' ' PHE . 3.2 mtt -48.51 -56.38 8.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -50.17 -43.49 52.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.62 -21.79 65.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.069 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . 81.8 t80 -86.5 -34.8 19.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.7 p -76.43 -31.57 57.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 4.8 pt-20 -78.8 -43.37 25.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.421 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 34.5 ttm-85 -45.63 -35.74 4.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.408 ' NE2' ' HG2' ' A' ' 57' ' ' ARG . 73.0 mm-40 -102.52 -53.84 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 125.99 28.88 0.99 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.425 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mt -101.48 173.76 6.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.3 m -99.46 139.34 35.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.491 ' CE ' ' HB2' ' A' ' 51' ' ' MET . 1.2 ttt -44.76 -52.97 7.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.5 ptt-85 -60.41 -50.92 71.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -43.76 -44.11 6.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.5 pt -99.89 168.19 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -146.7 138.62 24.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.554 ' CD1' ' HG2' ' A' ' 51' ' ' MET . 89.0 m-85 -101.09 160.67 14.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' A' ' 67' ' ' PHE . 31.7 mtt180 -163.39 140.34 7.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.577 ' CD2' ' HE3' ' A' ' 85' ' ' MET . 27.3 t80 -124.79 107.22 10.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.3 t0 74.35 26.43 1.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.45 31.44 37.38 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -134.15 142.51 43.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.541 0.686 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 123.64 10.27 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.682 2.254 . . . . 0.0 112.329 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 pt -114.73 136.78 50.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -102.63 154.7 18.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.427 ' HB2' ' CB ' ' A' ' 48' ' ' SER . 7.9 pt-20 -57.45 -43.59 84.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 77.7 p -56.72 -35.62 68.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.16 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.1 159.08 15.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.85 160.14 37.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.565 0.697 . . . . 0.0 111.118 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.555 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.2 Cg_endo -69.79 -14.78 36.48 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.72 2.28 . . . . 0.0 112.304 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.54 -26.89 27.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -73.4 -29.04 62.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.2 mt -87.69 3.61 47.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 62.8 47.25 4.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.577 ' HE3' ' CD2' ' A' ' 69' ' ' PHE . 7.8 mtt -79.24 130.06 35.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.406 ' O ' ' CG ' ' A' ' 87' ' ' ASP . 17.6 mt-10 -94.8 -71.2 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.525 ' OD1' HG22 ' A' ' 25' ' ' ILE . 3.5 m-20 -175.68 162.61 2.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 43.26 29.51 0.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.47 ' HB2' HD22 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -75.0 124.78 27.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.5 m -78.22 131.33 37.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.8 HD11 ' HB2' ' A' ' 27' ' ' LEU . 13.2 mt -98.16 151.75 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -109.82 120.74 43.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.545 HG12 ' N ' ' A' ' 94' ' ' PHE . 59.4 t -138.67 160.16 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.545 ' N ' HG12 ' A' ' 93' ' ' VAL . 5.8 m-85 -124.79 109.45 13.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -91.45 104.79 17.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -75.53 111.36 10.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -78.69 83.79 4.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 12.3 t -73.24 144.37 46.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 49.4 m -127.11 104.74 8.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 173.72 155.12 11.38 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 130.76 19.95 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.1 t -74.59 139.54 43.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 68.0 m -117.31 41.38 2.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -120.7 94.9 4.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.857 0.36 . . . . 0.0 110.842 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.7 p -69.3 -19.8 63.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.07 100.59 0.79 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.7 m -69.97 -67.65 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.869 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 m -136.94 174.04 11.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.53 42.93 4.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.4 tpt -107.63 140.82 40.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.35 -60.88 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.087 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.8 t0 51.71 42.62 29.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -86.51 39.66 0.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.558 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.1 OUTLIER 63.89 47.76 0.79 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.576 0.703 . . . . 0.0 110.872 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 53.5 Cg_endo -69.72 111.87 2.92 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.704 2.269 . . . . 0.0 112.33 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.94 162.95 17.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.91 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -153.43 169.36 23.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.91 64.81 1.76 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.513 ' O ' HG22 ' A' ' 17' ' ' VAL . 4.3 p -96.71 -9.9 8.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.905 0.383 . . . . 0.0 111.127 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -75.9 153.76 36.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.7 p -121.63 -46.48 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -154.49 166.71 32.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -55.59 125.86 22.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -142.2 176.5 8.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.426 ' O ' ' ND1' ' A' ' 24' ' ' HIS . 1.3 p30 -114.04 97.43 6.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.426 ' ND1' ' O ' ' A' ' 23' ' ' ASP . 50.7 m-70 -149.36 172.19 15.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.423 HD11 ' HB2' ' A' ' 80' ' ' PRO . 26.5 pt -131.38 145.51 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.108 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -112.53 120.62 42.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.695 ' CD1' HD11 ' A' ' 91' ' ' ILE . 3.4 mt -103.84 130.71 51.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.743 ' O ' HG23 ' A' ' 90' ' ' THR . 22.3 mtmt -93.33 112.83 24.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.919 HG22 ' HB ' ' A' ' 91' ' ' ILE . 97.0 t -93.24 128.35 44.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.143 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.87 147.34 41.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.097 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -150.37 164.52 29.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.466 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 33' ' ' ASP . 70.6 mt-30 -56.95 -43.44 81.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 32' ' ' GLN . 12.2 t0 -34.9 -40.69 0.12 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.92 32.31 5.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.536 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.7 t -138.72 122.98 18.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 0.0 110.875 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 82.3 t -87.86 119.05 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.185 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.7 t -111.53 122.0 65.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -98.65 157.2 16.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.669 ' CG ' HD13 ' A' ' 50' ' ' LEU . 86.8 m-85 -145.6 133.43 21.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -106.9 114.6 28.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.4 pt -136.12 179.4 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -95.47 158.38 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.468 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -66.32 -22.76 66.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -112.39 47.4 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.734 ' C ' HG22 ' A' ' 79' ' ' THR . 63.2 m -134.25 134.87 23.16 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.563 0.697 . . . . 0.0 111.164 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.503 ' HD2' HG23 ' A' ' 45' ' ' THR . 53.6 Cg_endo -69.78 129.81 18.22 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.252 . . . . 0.0 112.358 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.718 HD22 HD23 ' A' ' 50' ' ' LEU . 59.6 mt -53.05 -19.12 2.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 47' ' ' LEU . 81.4 p -35.26 -48.28 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -70.01 -49.2 53.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.718 HD23 HD22 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -49.61 -52.21 32.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.6 mtt -57.12 -57.2 13.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -47.45 -35.57 8.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.57 -26.77 60.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.581 ' CE2' HG11 ' A' ' 93' ' ' VAL . 62.5 t80 -80.82 -40.23 25.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 12.7 p -73.02 -39.43 66.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 6.0 pt-20 -67.36 -44.34 79.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.438 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 18.6 ttt85 -51.46 -43.4 62.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -95.5 -5.48 42.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.88 20.86 76.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.5 mt -89.11 179.24 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.371 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.9 t -105.32 136.5 44.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.9 ttm -54.3 -42.5 70.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -67.89 -30.6 69.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -69.88 -41.6 74.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.3 pt -98.27 155.56 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 -121.43 147.31 45.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.562 ' HB3' HD11 ' A' ' 74' ' ' ILE . 97.1 m-85 -113.38 146.69 39.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.3 mtm-85 -151.48 162.6 40.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.576 ' CZ ' ' HG2' ' A' ' 85' ' ' MET . 27.8 t80 -149.25 110.59 4.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.9 t70 65.47 26.04 11.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.94 34.56 14.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.404 ' NE2' HD22 ' A' ' 83' ' ' LEU . 3.2 pt20 -139.99 138.48 19.64 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.645 0.736 . . . . 0.0 110.89 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 116.1 4.4 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.712 2.275 . . . . 0.0 112.344 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.562 HD11 ' HB3' ' A' ' 67' ' ' PHE . 10.8 pt -103.98 146.41 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -113.79 172.96 6.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -73.13 -29.64 63.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 36.1 p -81.92 14.78 2.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -111.3 149.15 31.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.734 HG22 ' C ' ' A' ' 45' ' ' THR . 0.8 OUTLIER -110.28 160.61 27.72 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.607 0.718 . . . . 0.0 111.127 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.423 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.4 Cg_endo -69.78 -24.82 29.17 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.66 2.24 . . . . 0.0 112.365 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' A' ' 43' ' ' ARG . . . -77.53 -24.54 49.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -75.07 -33.66 61.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.404 HD22 ' NE2' ' A' ' 72' ' ' GLN . 4.1 mt -83.56 8.07 15.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 62.39 44.54 7.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.576 ' HG2' ' CZ ' ' A' ' 69' ' ' PHE . 30.3 mtt -76.53 148.05 37.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -107.17 -74.47 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 89' ' ' ASP . 4.4 p30 -175.56 164.07 3.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 39.7 27.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 87' ' ' ASP . 6.8 m-20 -62.95 -175.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.743 HG23 ' O ' ' A' ' 28' ' ' LYS . 70.2 m -139.92 130.33 25.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.919 ' HB ' HG22 ' A' ' 29' ' ' VAL . 5.4 mt -99.83 151.41 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -107.34 123.03 47.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.581 HG11 ' CE2' ' A' ' 54' ' ' TYR . 54.1 t -141.41 154.04 20.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.411 ' N ' ' CG1' ' A' ' 93' ' ' VAL . 9.4 m-85 -126.33 111.47 14.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -81.91 123.07 28.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -97.31 130.36 44.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.3 pm0 -54.82 136.71 46.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.1 t -114.91 125.11 53.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.9 t -59.2 156.91 11.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 72.97 143.08 0.54 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.497 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 117.74 5.26 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.331 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.4 p -106.63 -52.15 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.1 t 48.75 42.06 19.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.519 -0.233 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -82.42 86.98 6.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.837 0.351 . . . . 0.0 110.872 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -65.69 142.71 57.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.66 148.33 19.98 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.446 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.7 m -152.83 172.77 16.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.859 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -147.71 136.0 21.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.51 83.31 0.2 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.0 tpt -93.31 96.67 10.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.329 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -154.51 122.72 6.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -93.08 99.23 11.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -111.66 47.84 1.0 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.464 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 25.9 mmmt 53.38 53.26 11.19 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.578 0.704 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 53.7 Cg_endo -69.77 0.61 5.39 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.652 2.235 . . . . 0.0 112.356 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.58 46.52 1.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -114.49 135.43 54.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 169.89 90.82 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.4 t -123.57 124.05 68.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.942 0.401 . . . . 0.0 111.113 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.78 174.42 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.8 m -132.59 -43.65 0.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 21' ' ' ASN . 14.4 mp0 -64.77 165.65 10.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 20' ' ' GLU . 8.1 m-80 -34.52 142.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -131.15 102.07 5.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -108.04 112.11 24.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.538 ' CE1' ' HG2' ' A' ' 42' ' ' LYS . 47.5 m-70 -124.88 176.16 6.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.449 HD11 ' HB2' ' A' ' 80' ' ' PRO . 47.6 pt -131.99 145.14 35.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -111.2 134.24 52.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.608 HD12 HD11 ' A' ' 91' ' ' ILE . 7.3 mt -120.06 129.19 54.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -90.92 109.76 20.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.933 HG22 ' HB ' ' A' ' 91' ' ' ILE . 73.7 t -89.98 128.39 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.093 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.34 144.57 30.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.05 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -144.69 -162.12 9.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -81.13 159.14 24.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.34 . . . . 0.0 110.932 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.6 t0 65.84 37.03 5.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 45.42 52.68 8.63 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.515 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 t -105.94 137.3 44.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.905 0.383 . . . . 0.0 110.833 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.4 t -127.75 110.19 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.164 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.0 t -110.57 121.99 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.098 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.401 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 43.3 mt-30 -96.27 165.09 12.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.658 ' CG ' HD13 ' A' ' 50' ' ' LEU . 81.6 m-85 -152.29 135.15 15.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -109.97 108.56 18.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.8 pt -133.08 175.16 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.538 ' HG2' ' CE1' ' A' ' 24' ' ' HIS . 24.9 mttp -93.41 161.27 14.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.639 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 4.8 ptm180 -64.8 -43.38 93.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.05 37.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.555 ' C ' HG22 ' A' ' 79' ' ' THR . 54.0 m -124.54 131.43 24.16 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.572 0.701 . . . . 0.0 111.142 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 125.46 12.16 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.553 HD22 HD23 ' A' ' 50' ' ' LEU . 86.6 mt -44.8 -22.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 47' ' ' LEU . 7.5 t -34.31 -57.82 0.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -58.1 -42.43 85.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.786 HD21 ' CD1' ' A' ' 91' ' ' ILE . 1.9 tp -60.12 -61.52 2.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.507 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 2.1 mtt -48.49 -58.84 4.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.421 ' HG2' ' HE3' ' A' ' 62' ' ' MET . 7.3 mmmt -45.62 -41.43 10.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.56 -30.46 71.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.659 ' CE2' HG11 ' A' ' 29' ' ' VAL . 48.8 t80 -77.52 -39.73 45.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.4 p -74.02 -31.72 63.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 4.1 pt-20 -76.1 -44.73 37.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.446 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 21.4 ttt180 -45.22 -48.56 12.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.4 ' HG3' ' NE2' ' A' ' 95' ' ' GLN . 71.9 mm-40 -89.18 -41.0 12.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.27 25.37 5.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.544 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.499 HD22 HE22 ' A' ' 64' ' ' GLN . 7.5 mt -98.44 169.68 9.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.786 0.327 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.3 p -99.13 135.06 41.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.421 ' HE3' ' HG2' ' A' ' 52' ' ' LYS . 7.3 ttm -40.6 -55.98 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -50.44 -52.18 40.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.499 HE22 HD22 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -49.53 -33.87 15.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.4 pt -106.43 172.99 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.09 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -147.39 129.37 15.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.832 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.676 ' HB3' HD11 ' A' ' 74' ' ' ILE . 86.5 m-85 -96.49 148.08 23.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -146.53 162.02 39.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.418 ' CG ' ' HE3' ' A' ' 85' ' ' MET . 66.0 t80 -148.25 106.29 3.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.4 t70 64.69 30.76 12.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.15 38.13 35.6 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -138.66 142.09 33.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.653 0.74 . . . . 0.0 110.85 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 113.76 3.49 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.314 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.676 HD11 ' HB3' ' A' ' 67' ' ' PHE . 15.5 pt -105.19 150.25 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -123.2 152.62 41.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -54.54 -43.77 72.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 57.4 p -54.58 -44.91 73.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -58.43 150.3 22.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.555 HG22 ' C ' ' A' ' 45' ' ' THR . 0.7 OUTLIER -108.41 160.34 27.45 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.582 0.706 . . . . 0.0 111.154 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.459 ' CD ' ' O ' ' A' ' 45' ' ' THR . 54.1 Cg_endo -69.74 -20.85 34.4 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.336 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.639 ' HB2' ' HB2' ' A' ' 43' ' ' ARG . . . -80.21 -22.13 42.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.11 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -75.61 -34.17 60.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.6 mt -96.36 18.72 13.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 50.35 42.0 25.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.418 ' HE3' ' CG ' ' A' ' 69' ' ' PHE . 7.0 mtt -67.27 103.16 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.449 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 18.9 pt-20 -82.19 167.92 18.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -64.05 155.34 31.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 62.77 27.51 16.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.553 ' HB2' HD22 ' A' ' 27' ' ' LEU . 12.5 m-20 -71.56 -177.52 1.89 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 91.0 m -142.85 123.77 14.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.933 ' HB ' HG22 ' A' ' 29' ' ' VAL . 5.0 mt -98.37 146.34 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.082 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -105.39 120.75 42.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.562 HG11 ' CE1' ' A' ' 54' ' ' TYR . 89.1 t -139.86 157.93 26.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.505 ' N ' HG12 ' A' ' 93' ' ' VAL . 65.0 m-85 -129.94 115.23 16.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.4 ' NE2' ' HG3' ' A' ' 58' ' ' GLN . 79.6 mt-30 -91.24 104.56 17.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -72.17 122.54 21.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -88.39 115.09 25.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.0 m -77.46 -52.94 8.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.133 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.5 p -170.38 134.05 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.491 ' N ' ' HD2' ' A' ' 101' ' ' PRO . . . -49.7 -59.03 7.66 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 100' ' ' GLY . 53.8 Cg_endo -69.81 3.8 2.58 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.721 2.281 . . . . 0.0 112.311 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 101' ' ' PRO . 2.8 m -33.56 122.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.9 t -114.3 141.25 47.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.535 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.2 p -123.18 92.25 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 p 45.4 42.76 7.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -42.57 157.86 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.523 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -139.52 176.32 8.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.87 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 p -80.43 171.33 15.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.67 -146.94 9.63 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -172.33 173.18 4.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.782 0.325 . . . . 0.0 110.856 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.32 176.07 8.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -90.9 45.51 1.26 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -79.73 -42.52 24.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.499 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 12.0 mmmt -56.22 -59.97 10.35 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.548 0.69 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 53.7 Cg_endo -69.8 138.81 38.55 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.643 2.229 . . . . 0.0 112.328 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.1 mttt -149.56 157.59 43.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -68.62 177.57 2.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 160.26 -51.72 0.36 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.5 t -73.63 82.61 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.913 0.387 . . . . 0.0 111.156 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -129.07 172.98 10.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.0 p 38.95 50.96 1.82 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -154.26 136.64 14.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -43.25 161.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -117.14 41.86 2.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.82 28.11 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -127.08 155.79 42.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.617 HD11 ' HB2' ' A' ' 80' ' ' PRO . 20.5 pt -111.53 135.1 51.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -96.2 123.84 39.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.745 ' CD1' HD11 ' A' ' 91' ' ' ILE . 3.3 mt -114.14 128.49 56.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.422 ' O ' HG23 ' A' ' 90' ' ' THR . 40.5 mttt -92.82 108.98 20.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.641 HG22 ' HB ' ' A' ' 91' ' ' ILE . 14.3 t -91.06 126.0 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.28 140.64 39.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.095 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.32 25.3 4.57 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.498 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 38.56 34.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.79 0.329 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -101.99 -38.45 7.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.816 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.67 -19.71 1.47 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.2 t -126.4 178.76 5.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.904 0.383 . . . . 0.0 110.846 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.7 t -129.68 134.65 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.646 HG12 ' CE1' ' A' ' 39' ' ' PHE . 3.0 t -107.28 121.98 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.5 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 42.5 mt-30 -100.77 162.32 12.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.646 ' CE1' HG12 ' A' ' 37' ' ' VAL . 69.1 m-85 -154.39 128.69 9.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.1 tttp -107.06 107.16 18.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.2 pt -129.68 175.66 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -86.99 155.24 20.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 6.2 ptp180 -67.06 -25.11 66.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -96.56 -10.1 28.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.412 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 2.4 m -80.26 132.51 59.21 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.58 0.705 . . . . 0.0 111.177 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 134.9 29.13 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.72 2.28 . . . . 0.0 112.371 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.641 HD22 HD23 ' A' ' 50' ' ' LEU . 38.7 mt -48.63 -20.98 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' LEU . 34.5 t -35.12 -55.99 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.809 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.03 -41.63 98.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.641 HD23 HD22 ' A' ' 47' ' ' LEU . 1.8 tp -58.39 -54.08 51.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.55 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 3.1 mtt -58.1 -54.64 44.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -46.82 -56.18 6.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.26 -38.94 69.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.144 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -63.07 -29.49 70.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 9.1 m -80.53 -55.3 4.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 13.5 pt-20 -52.67 -45.09 66.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.438 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 10.9 ttt85 -45.95 -45.05 15.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -97.9 0.92 47.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.96 34.45 82.06 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mt -113.25 -175.16 2.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 110.937 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.6 m -112.19 150.08 31.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 54.8 mtp -54.83 -48.47 72.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 33.5 ptt-85 -60.15 -47.17 87.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -48.01 -28.16 2.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.8 pt -118.4 172.82 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -135.71 144.85 46.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.734 ' HB3' HD11 ' A' ' 74' ' ' ILE . 83.1 m-85 -111.12 141.1 45.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 92' ' ' ASP . 13.4 mmt180 -142.14 156.3 45.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.41 ' CG ' ' HE3' ' A' ' 85' ' ' MET . 59.0 t80 -148.08 116.18 6.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.0 t70 60.33 30.48 19.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.72 32.81 48.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.515 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.434 ' C ' ' HD3' ' A' ' 68' ' ' ARG . 12.6 mm100 -137.9 140.91 30.82 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.599 0.714 . . . . 0.0 110.92 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 112.31 3.04 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.74 2.294 . . . . 0.0 112.302 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.734 HD11 ' HB3' ' A' ' 67' ' ' PHE . 7.2 pt -100.14 147.54 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -118.58 159.52 23.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -59.87 -42.99 94.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 79.1 p -53.73 -48.99 69.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -55.46 154.92 5.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -111.16 158.97 34.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.569 0.699 . . . . 0.0 111.141 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.617 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.8 Cg_endo -69.79 -8.95 24.9 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 43' ' ' ARG . . . -90.92 -36.11 14.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -59.48 -32.11 69.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 mt -96.89 3.59 52.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 58.47 50.45 9.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.41 ' HE3' ' CG ' ' A' ' 69' ' ' PHE . 11.4 mtp -70.54 105.86 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.418 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 18.9 mt-10 -73.93 171.97 12.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -69.01 156.65 38.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 54.49 28.76 10.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 86' ' ' GLU . 11.2 m-20 -66.91 -177.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 28' ' ' LYS . 85.3 m -142.92 122.23 13.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.745 HD11 ' CD1' ' A' ' 27' ' ' LEU . 2.9 mt -99.31 146.19 9.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 68' ' ' ARG . 21.1 m-20 -105.72 120.68 42.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.666 HG22 ' HA ' ' A' ' 67' ' ' PHE . 24.8 t -137.32 159.94 35.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.532 ' N ' ' CG1' ' A' ' 93' ' ' VAL . 0.8 OUTLIER -138.17 109.5 6.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -116.64 143.56 45.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -108.66 130.6 55.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -116.39 166.38 12.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 71.2 p -100.46 169.26 9.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.3 t -104.92 47.8 0.86 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.812 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -118.66 -103.05 2.11 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.477 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 102' ' ' SER . 53.4 Cg_endo -69.77 166.96 25.85 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.709 2.272 . . . . 0.0 112.303 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 101' ' ' PRO . 63.3 p 37.63 46.73 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.1 m -114.61 152.23 32.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.838 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.446 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -146.81 160.76 41.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.84 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.7 p -135.72 175.35 9.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.09 109.28 0.22 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.457 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 p -159.56 122.2 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 110.844 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -174.67 150.14 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.91 58.68 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -130.46 97.32 4.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.24 161.97 17.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.74 105.57 14.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.53 40.48 1.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.509 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 22.1 tttm 65.56 50.63 0.79 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.583 0.706 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 53.6 Cg_endo -69.76 172.46 12.6 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.655 2.237 . . . . 0.0 112.335 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt 40.99 38.71 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -121.02 123.26 41.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 138.06 121.23 1.95 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.4 m -83.22 151.79 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 111.147 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -108.54 89.64 3.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 42.3 p -140.25 117.39 11.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -125.5 90.89 3.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -90.46 -54.94 3.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -104.02 167.95 9.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -82.41 129.14 34.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -109.26 170.35 8.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.415 HD11 ' HB2' ' A' ' 80' ' ' PRO . 34.2 pt -124.06 145.24 31.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.5 m-80 -111.39 130.51 55.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.513 HD12 HD11 ' A' ' 91' ' ' ILE . 7.4 mt -116.9 129.82 56.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -90.95 111.45 22.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.814 HG22 ' HB ' ' A' ' 91' ' ' ILE . 40.8 t -90.32 123.3 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.28 136.5 45.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.074 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.65 174.01 29.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -84.31 48.22 1.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -112.78 -38.87 4.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.87 32.77 3.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.486 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.3 t -170.39 123.98 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.92 0.39 . . . . 0.0 110.885 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.7 t -77.33 124.99 36.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.655 HG12 ' CE1' ' A' ' 39' ' ' PHE . 31.5 t -106.04 123.03 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.166 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -99.29 160.82 14.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.655 ' CE1' HG12 ' A' ' 37' ' ' VAL . 87.1 m-85 -148.35 133.04 17.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -111.08 111.95 23.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.5 pt -133.32 177.15 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.5 mttm -90.62 155.45 18.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -64.82 -28.7 69.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -94.51 -5.65 45.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.441 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 15.7 m -83.75 129.65 58.64 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.553 0.692 . . . . 0.0 111.179 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 134.16 27.24 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.673 2.249 . . . . 0.0 112.317 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.504 HD22 HD23 ' A' ' 50' ' ' LEU . 81.0 mt -47.35 -25.55 1.04 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 47' ' ' LEU . 13.0 p -34.5 -54.73 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -60.81 -40.17 91.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.564 HD13 ' CG ' ' A' ' 39' ' ' PHE . 1.7 tp -62.27 -56.8 14.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.1 mtt -53.62 -49.54 67.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -52.92 -48.8 67.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.01 -27.44 69.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.482 ' CE2' HG11 ' A' ' 93' ' ' VAL . 61.1 t80 -73.3 -33.44 65.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.937 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 32.6 m -76.87 -43.15 37.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -66.57 -41.97 87.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.8 ttt-85 -46.35 -55.71 6.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 63.4 mm-40 -84.16 -53.63 5.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 124.79 33.66 0.74 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.469 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mt -108.91 177.68 4.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.348 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 t -102.73 148.05 26.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 15.2 mmm -52.79 -53.99 40.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -59.91 -42.9 94.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -51.95 -42.82 63.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 7.0 pt -102.96 172.75 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.414 ' NH1' ' HB3' ' A' ' 66' ' ' ARG . 3.6 mmm180 -142.34 148.72 38.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.689 ' HB3' HD11 ' A' ' 74' ' ' ILE . 85.0 m-85 -115.34 149.49 37.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -152.57 149.93 29.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.525 ' CD1' ' CE ' ' A' ' 85' ' ' MET . 87.1 t80 -129.73 114.43 15.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 61.92 27.3 16.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.01 33.14 24.54 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.458 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -137.85 143.44 40.05 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.656 0.741 . . . . 0.0 110.904 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 120.26 7.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.685 2.257 . . . . 0.0 112.304 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.689 HD11 ' HB3' ' A' ' 67' ' ' PHE . 5.3 pt -107.24 146.55 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.164 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -114.86 136.07 53.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.403 ' HB2' ' CB ' ' A' ' 48' ' ' SER . 10.1 pt-20 -42.46 -44.23 3.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 75.0 p -52.75 -47.75 67.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.17 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -52.94 159.25 1.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -114.72 159.51 36.95 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.622 0.725 . . . . 0.0 111.129 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.441 ' CD ' ' O ' ' A' ' 45' ' ' THR . 53.7 Cg_endo -69.74 -14.95 36.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.342 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.62 -29.78 25.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -67.93 -33.07 73.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.415 ' O ' ' CG ' ' A' ' 84' ' ' GLU . 16.8 mt -97.08 21.1 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 83' ' ' LEU . 8.3 pt-20 43.02 46.9 4.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.525 ' CE ' ' CD1' ' A' ' 69' ' ' PHE . 8.7 mtt -68.19 102.5 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.457 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 11.4 pt-20 -84.07 161.45 20.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.825 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -58.54 155.37 12.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 62.66 32.42 16.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.474 ' HB2' HD22 ' A' ' 27' ' ' LEU . 12.7 m-20 -79.69 -176.66 5.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.812 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 96.9 m -143.39 129.57 19.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.814 ' HB ' HG22 ' A' ' 29' ' ' VAL . 8.4 mt -100.89 147.98 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.16 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -107.04 120.9 43.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.815 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.482 HG11 ' CE2' ' A' ' 54' ' ' TYR . 96.6 t -143.05 152.46 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.41 ' N ' HG12 ' A' ' 93' ' ' VAL . 10.2 m-85 -120.4 110.63 16.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -90.02 101.6 14.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -97.18 159.89 14.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -57.79 133.82 55.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 98' ' ' THR . 9.2 t -82.6 126.6 32.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 72.0 m -121.52 111.25 17.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 165.07 146.29 4.72 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 146.66 60.65 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.65 2.233 . . . . 0.0 112.318 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.9 t -84.76 114.43 22.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.3 t 58.15 53.69 6.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.807 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 m -160.95 148.23 15.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.4 m -51.96 162.66 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.41 -42.31 0.15 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.486 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.3 t -53.06 139.09 29.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.912 0.386 . . . . 0.0 110.847 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.9 t -166.43 144.58 5.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.53 -102.21 0.73 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.526 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.8 tpt 57.87 41.65 24.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -138.46 141.91 39.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.08 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -104.24 85.08 2.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -113.75 -29.25 7.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.527 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 20.6 mtmt -65.49 -58.44 11.89 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.542 0.687 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 54.0 Cg_endo -69.79 0.5 5.58 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.678 2.252 . . . . 0.0 112.351 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -71.51 112.84 7.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.432 ' CD ' ' O ' ' A' ' 13' ' ' PRO . 16.4 mp0 -119.9 166.84 12.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 159.62 78.44 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.457 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.9 m -99.4 156.55 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 0.0 111.162 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -138.93 146.8 41.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.0 p -117.28 114.72 24.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -148.31 168.38 22.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -50.99 168.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -85.12 49.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.98 22.36 13.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.593 ' CE1' ' HG2' ' A' ' 42' ' ' LYS . 8.4 m80 -113.34 164.64 13.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.713 HD11 ' HB2' ' A' ' 80' ' ' PRO . 27.8 pt -130.16 133.6 63.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.117 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -96.75 131.09 43.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.585 ' CD1' HD11 ' A' ' 91' ' ' ILE . 9.9 mt -119.39 129.21 54.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -90.9 112.49 24.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.619 HG11 ' CE2' ' A' ' 54' ' ' TYR . 32.7 t -93.79 114.2 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.65 124.93 38.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.074 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.31 44.98 0.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.508 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -152.03 167.19 29.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.832 0.349 . . . . 0.0 110.842 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -83.89 31.39 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 137.54 30.42 0.26 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t -140.74 137.9 33.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 110.861 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.9 t -124.36 134.35 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.596 HG12 ' CE1' ' A' ' 39' ' ' PHE . 19.6 t -110.75 122.03 64.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -98.93 162.3 13.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.72 ' CG ' HD13 ' A' ' 50' ' ' LEU . 85.1 m-85 -151.53 124.61 8.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -106.4 112.6 25.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.552 ' HB ' HG21 ' A' ' 45' ' ' THR . 8.2 pt -135.08 174.84 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.593 ' HG2' ' CE1' ' A' ' 24' ' ' HIS . 8.1 mtpp -86.35 170.95 11.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 73.6 mtt180 -69.94 -33.94 72.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.462 ' C ' ' ND1' ' A' ' 44' ' ' HIS . 0.1 OUTLIER -92.06 -2.75 56.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.552 HG21 ' HB ' ' A' ' 41' ' ' ILE . 19.3 m -75.79 118.87 74.18 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.548 0.69 . . . . 0.0 111.166 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 48' ' ' SER . 54.0 Cg_endo -69.7 122.5 9.2 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.67 2.247 . . . . 0.0 112.361 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.609 HD22 HD23 ' A' ' 50' ' ' LEU . 48.7 mt -41.69 -24.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' PRO . 6.7 p -34.98 -56.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -63.88 -37.71 88.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.72 HD13 ' CG ' ' A' ' 39' ' ' PHE . 1.5 tp -60.93 -59.9 4.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.543 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 5.9 mtt -49.11 -50.49 36.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -51.53 -52.89 43.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.86 -23.76 63.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.619 ' CE2' HG11 ' A' ' 29' ' ' VAL . 47.1 t80 -79.85 -35.07 38.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.583 ' SG ' HD11 ' A' ' 65' ' ' ILE . 59.9 m -76.94 -37.45 55.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 15.6 pt-20 -70.04 -45.32 67.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.43 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 43.7 ttt85 -44.37 -55.39 5.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -81.57 -50.77 8.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.63 35.61 0.9 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.522 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mt -111.08 179.06 4.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.849 0.356 . . . . 0.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.4 t -106.95 143.36 35.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 34.7 mmm -52.31 -36.97 54.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -67.67 -53.14 30.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -49.43 -41.29 39.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.583 HD11 ' SG ' ' A' ' 55' ' ' CYS . 8.3 pt -100.53 171.0 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -149.85 133.29 16.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.923 ' HB3' HD11 ' A' ' 74' ' ' ILE . 86.9 m-85 -92.21 162.49 14.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.0 mtt-85 -163.48 142.32 8.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.449 ' CD1' ' CE ' ' A' ' 85' ' ' MET . 76.6 t80 -125.92 116.63 21.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 62.15 28.95 17.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.27 36.39 27.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.497 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -141.47 144.42 33.69 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.616 0.722 . . . . 0.0 110.936 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 117.91 5.36 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.675 2.25 . . . . 0.0 112.315 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.923 HD11 ' HB3' ' A' ' 67' ' ' PHE . 2.7 pt -104.69 148.76 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 76' ' ' GLU . 20.1 m120 -114.8 133.68 55.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 75' ' ' ASN . 6.1 pt-20 -37.72 -42.74 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 52.1 p -54.24 -49.75 68.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.167 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -48.17 155.95 0.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.4 159.67 40.84 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.588 0.708 . . . . 0.0 111.155 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.713 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.7 Cg_endo -69.75 -7.65 21.6 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.664 2.243 . . . . 0.0 112.331 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -92.17 -27.87 17.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -74.97 -37.23 61.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.8 mt -91.47 11.11 25.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 53.2 39.84 30.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.449 ' CE ' ' CD1' ' A' ' 69' ' ' PHE . 7.2 mtt -58.28 98.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -62.69 -178.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.433 ' C ' ' HG2' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -79.48 162.15 25.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.433 ' HG2' ' C ' ' A' ' 87' ' ' ASP . 10.2 pt-20 36.29 38.22 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -72.15 -176.02 1.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 89.0 m -132.82 127.96 35.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.585 HD11 ' CD1' ' A' ' 27' ' ' LEU . 3.7 mt -98.37 156.02 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.134 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.433 ' N ' HG22 ' A' ' 91' ' ' ILE . 30.8 m-20 -112.6 121.93 46.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.508 HG22 ' HA ' ' A' ' 67' ' ' PHE . 92.4 t -144.45 150.36 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -112.82 109.43 18.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -93.65 106.72 18.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 97' ' ' GLN . 14.3 mm100 -84.38 158.55 21.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 96' ' ' GLN . 3.3 mp0 -35.53 109.56 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.8 t -50.57 144.24 8.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.7 t -56.78 -59.53 4.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -113.75 146.14 18.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.527 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 125.31 11.99 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.335 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 44.8 t -110.91 110.4 20.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 33.6 m -51.33 -61.81 2.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.895 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.465 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.8 m -74.7 -47.76 29.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 110.852 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.0 t -76.27 136.66 39.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.28 -100.0 0.15 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t 60.35 42.54 14.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.911 0.386 . . . . 0.0 110.878 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.9 p -52.2 153.83 2.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.68 174.49 16.98 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 49.54 41.78 21.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.329 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.66 40.03 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.134 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -121.8 106.51 11.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.4 mp0 -123.13 43.74 2.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.469 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 74.1 mmtt 60.07 52.86 3.51 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.588 0.708 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 53.6 Cg_endo -69.76 103.39 1.15 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.709 2.273 . . . . 0.0 112.325 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.18 159.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -85.4 116.46 23.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -136.97 64.39 0.57 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.491 HG22 HG22 ' A' ' 19' ' ' THR . 14.9 p -173.59 137.16 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.926 0.393 . . . . 0.0 111.094 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -112.17 113.62 25.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.491 HG22 HG22 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -174.15 110.66 0.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -99.89 147.74 25.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -99.3 -52.17 3.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 64.42 54.32 1.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -128.26 91.37 3.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -129.81 158.73 38.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.811 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.467 HG22 ' O ' ' A' ' 86' ' ' GLU . 4.9 pt -123.85 141.48 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -99.83 110.92 23.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.778 HD22 ' CG ' ' A' ' 89' ' ' ASP . 14.7 mt -102.86 128.89 49.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.0 mtmm -93.66 109.08 20.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.683 HG22 HD12 ' A' ' 91' ' ' ILE . 15.4 t -89.88 121.04 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.03 114.08 28.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.46 -36.31 2.11 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 -126.83 -174.63 3.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.351 . . . . 0.0 110.938 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -82.9 26.18 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.8 -28.17 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.9 m -79.46 96.55 6.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.921 0.391 . . . . 0.0 110.877 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.1 t -109.81 124.4 66.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.092 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.718 HG12 ' CE1' ' A' ' 39' ' ' PHE . 21.8 t -117.16 122.5 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.404 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 39.7 mt-30 -97.02 162.63 13.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.718 ' CE1' HG12 ' A' ' 37' ' ' VAL . 81.1 m-85 -152.04 135.3 15.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -112.9 110.0 19.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.2 pt -129.11 179.79 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -95.78 164.06 12.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -70.03 -38.13 75.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.816 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -89.57 1.34 56.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.431 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 3.0 m -91.23 130.0 41.48 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.616 0.722 . . . . 0.0 111.122 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 139.06 39.21 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.559 HD22 HD23 ' A' ' 50' ' ' LEU . 61.6 mt -55.74 -16.59 4.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 p -37.9 -58.29 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -57.85 -44.72 86.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.67 HD13 ' CG ' ' A' ' 39' ' ' PHE . 1.2 tp -56.07 -63.05 1.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.547 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 5.3 mtt -45.41 -66.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.49 ' HG2' ' CE ' ' A' ' 62' ' ' MET . 15.8 mtmm -40.91 -54.55 2.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.13 -36.64 61.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.493 ' CE2' HG11 ' A' ' 93' ' ' VAL . 82.6 t80 -68.68 -36.14 78.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 59' ' ' GLY . 5.9 m -70.63 -50.67 34.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -58.67 -41.68 86.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 48.8 ttm-85 -55.42 -43.67 75.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.456 ' HG3' ' NE2' ' A' ' 95' ' ' GLN . 53.9 mm-40 -101.52 5.32 41.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 57.51 32.98 65.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.49 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.7 mt -97.57 -175.45 3.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.789 0.328 . . . . 0.0 110.953 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 t -113.19 135.03 54.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.49 ' CE ' ' HG2' ' A' ' 52' ' ' LYS . 2.2 ttt -50.01 -44.13 51.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -68.39 -49.66 58.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -47.09 -39.12 12.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.7 pt -102.75 167.41 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -144.74 127.26 16.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.827 ' HB3' HD11 ' A' ' 74' ' ' ILE . 83.4 m-85 -88.28 157.72 18.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 31.6 mtt85 -160.36 147.61 16.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.831 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.603 ' CD1' ' HE2' ' A' ' 85' ' ' MET . 92.0 t80 -139.2 112.04 7.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.3 t0 72.56 24.99 2.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.842 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.37 35.57 32.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.462 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -138.86 142.03 32.39 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.581 0.705 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 120.06 6.9 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.683 2.255 . . . . 0.0 112.291 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.827 HD11 ' HB3' ' A' ' 67' ' ' PHE . 10.9 pt -108.95 145.97 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -113.94 156.98 23.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -59.57 -32.44 70.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 76.9 p -65.87 -40.19 91.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.148 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -60.44 157.5 13.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.56 160.64 29.73 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.633 0.73 . . . . 0.0 111.081 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.446 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.8 Cg_endo -69.82 -24.93 28.83 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.646 2.23 . . . . 0.0 112.354 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.29 -22.15 55.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.056 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -75.92 -34.32 59.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.7 mt -86.2 11.02 12.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 61.01 41.03 14.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.603 ' HE2' ' CD1' ' A' ' 69' ' ' PHE . 8.2 mtt -76.26 116.92 17.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.467 ' O ' HG22 ' A' ' 25' ' ' ILE . 21.9 mt-10 -87.34 -74.23 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -175.72 165.73 3.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 42.83 29.63 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.778 ' CG ' HD22 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -70.09 -174.6 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 44.2 m -128.46 124.35 35.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.683 HD12 HG22 ' A' ' 29' ' ' VAL . 11.8 mt -98.11 144.2 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -105.71 123.65 48.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.493 HG11 ' CE2' ' A' ' 54' ' ' TYR . 97.0 t -145.37 143.87 21.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -105.23 111.3 24.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.456 ' NE2' ' HG3' ' A' ' 58' ' ' GLN . 15.6 mt-30 -94.74 99.16 11.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -104.97 114.21 28.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -92.53 127.18 37.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 37.4 m -121.3 145.11 48.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.3 t -118.09 109.83 16.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -69.19 146.02 43.73 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.472 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 142.11 46.92 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.692 2.261 . . . . 0.0 112.279 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.5 m -99.11 41.41 1.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.4 t 71.93 42.18 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 p -153.48 161.24 42.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.799 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.2 p -128.58 168.35 15.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.82 -86.99 1.98 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.537 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.4 m 50.91 43.15 28.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.844 0.354 . . . . 0.0 110.807 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 m -104.62 135.63 45.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.53 108.52 0.22 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.13 150.92 39.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.75 0.309 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -162.83 139.04 7.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.84 93.36 3.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -88.31 57.43 4.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.478 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 62.8 mttt 50.75 52.17 11.84 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.589 0.709 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 53.7 Cg_endo -69.78 1.18 4.68 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.637 2.225 . . . . 0.0 112.34 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -57.02 158.23 5.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -159.01 176.69 11.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 147.35 129.37 1.93 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.424 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.2 m -84.09 157.14 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.895 0.379 . . . . 0.0 111.126 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.03 125.98 16.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.1 p -111.65 93.18 4.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -160.84 144.65 13.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -63.14 88.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -49.88 145.71 5.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -117.11 -40.83 3.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.434 ' NE2' ' HG2' ' A' ' 42' ' ' LYS . 16.6 m80 -54.92 178.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.722 HG22 ' O ' ' A' ' 86' ' ' GLU . 21.5 pt -134.41 144.4 35.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -110.79 114.31 27.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.713 ' CD1' HD11 ' A' ' 91' ' ' ILE . 2.6 mt -106.22 129.4 54.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -92.62 107.18 19.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.602 HG22 ' HB ' ' A' ' 91' ' ' ILE . 24.4 t -90.6 117.24 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.16 144.76 25.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.165 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -138.8 -38.65 0.11 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.459 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 34' ' ' GLY . 27.1 tt0 -120.27 168.36 11.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.357 . . . . 0.0 110.936 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -41.18 -27.15 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.631 ' O ' HG23 ' A' ' 36' ' ' VAL . . . -137.67 -33.91 0.2 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.1 t -40.5 125.15 2.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.914 0.388 . . . . 0.0 110.867 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 34' ' ' GLY . 37.6 t -136.59 125.14 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.439 HG12 ' CE1' ' A' ' 39' ' ' PHE . 11.7 t -121.39 122.01 66.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.157 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.427 ' C ' ' CD1' ' A' ' 39' ' ' PHE . 37.2 mt-30 -95.44 162.65 13.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.669 ' CG ' HD13 ' A' ' 50' ' ' LEU . 70.5 m-85 -152.32 130.02 11.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.7 tttp -103.14 117.06 33.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.4 pt -139.87 -178.76 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.152 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.434 ' HG2' ' NE2' ' A' ' 24' ' ' HIS . 33.9 mtpt -99.69 169.6 9.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.9 ptt85 -73.87 -40.44 63.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -94.06 36.14 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.811 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.568 ' C ' HG22 ' A' ' 79' ' ' THR . 4.6 m -122.08 133.16 24.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.612 0.72 . . . . 0.0 111.113 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 125.09 11.74 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.725 2.283 . . . . 0.0 112.33 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.581 HD22 HD23 ' A' ' 50' ' ' LEU . 42.9 mt -48.86 -18.87 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 47' ' ' LEU . 55.5 p -33.57 -57.51 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -60.11 -51.45 69.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.67 HD12 ' O ' ' A' ' 50' ' ' LEU . 0.8 OUTLIER -49.2 -53.92 19.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.56 ' HG2' ' CE1' ' A' ' 67' ' ' PHE . 16.0 mtt -49.53 -53.48 23.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.4 mtmm -51.74 -53.24 41.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.64 -23.85 4.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.523 ' CE2' ' CG1' ' A' ' 29' ' ' VAL . 48.4 t80 -83.17 -30.33 27.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 11.4 p -81.05 -35.46 31.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 5.9 pt-20 -70.64 -43.4 69.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.439 HH11 ' NE2' ' A' ' 58' ' ' GLN . 59.2 ttt-85 -47.67 -53.19 15.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.439 ' NE2' HH11 ' A' ' 57' ' ' ARG . 72.9 mm-40 -86.3 -32.03 21.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.61 31.25 6.82 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.518 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mt -103.6 178.23 4.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.9 m -97.77 150.88 20.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 39.8 mtp -64.52 -56.12 16.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -15.16 10.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -80.47 -43.28 21.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 48.7 pt -100.73 153.7 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.432 ' NH2' ' HB3' ' A' ' 73' ' ' PRO . 5.7 tpt180 -118.31 147.37 43.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.562 ' HB3' HD11 ' A' ' 74' ' ' ILE . 97.1 m-85 -109.13 141.72 40.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -144.28 155.56 43.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -150.7 137.69 19.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 42.87 28.57 0.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 73.28 36.89 55.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -138.97 145.09 43.94 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.61 0.719 . . . . 0.0 110.902 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.432 ' HB3' ' NH2' ' A' ' 66' ' ' ARG . 53.9 Cg_endo -69.69 112.47 3.07 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.703 2.269 . . . . 0.0 112.363 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.562 HD11 ' HB3' ' A' ' 67' ' ' PHE . 10.0 pt -102.72 142.98 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -114.29 157.77 22.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -60.6 -41.09 94.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 23.9 p -63.13 -29.92 71.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.77 166.45 10.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.568 HG22 ' C ' ' A' ' 45' ' ' THR . 1.2 p -123.72 159.12 57.22 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.579 0.704 . . . . 0.0 111.148 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.492 ' HB2' ' CD1' ' A' ' 25' ' ' ILE . 54.2 Cg_endo -69.71 -17.26 37.9 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.735 2.29 . . . . 0.0 112.384 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.26 -24.01 32.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.097 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -76.47 -30.1 57.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.977 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.8 mt -86.59 4.22 41.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 65.26 49.32 1.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 24.8 mtt -84.42 143.17 29.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.722 ' O ' HG22 ' A' ' 25' ' ' ILE . 20.4 mm-40 -109.07 -75.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 89' ' ' ASP . 0.7 OUTLIER -172.58 170.32 4.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 39.61 25.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 87' ' ' ASP . 42.3 m-20 -63.7 -174.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 73.0 m -142.26 122.95 14.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.713 HD11 ' CD1' ' A' ' 27' ' ' LEU . 3.9 mt -98.72 150.77 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -109.63 120.69 43.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.42 HG11 ' CE1' ' A' ' 54' ' ' TYR . 75.0 t -134.11 147.9 30.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -109.22 109.24 20.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -86.94 119.15 26.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -94.79 146.64 24.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 52.86 42.12 31.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 72.3 m -43.04 134.37 3.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.3 t -70.79 -54.87 10.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 121.25 67.48 0.26 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 149.86 67.61 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.661 2.241 . . . . 0.0 112.37 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 84.3 p -53.07 140.13 26.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.6 t -93.32 156.03 17.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.474 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -138.8 111.69 7.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.82 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.1 p -154.73 145.35 22.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.1 175.49 21.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.1 p -161.68 111.06 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.358 . . . . 0.0 110.887 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.3 m -146.69 164.14 33.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.62 145.51 17.52 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.2 mmm -106.71 155.39 19.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.794 0.331 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.28 149.74 24.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -78.75 102.2 7.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.437 ' O ' ' CD ' ' A' ' 11' ' ' GLU . 9.4 tm-20 -84.14 46.14 1.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.475 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 1.4 mptm? 52.23 52.58 11.42 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.541 0.686 . . . . 0.0 110.929 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 54.4 Cg_endo -69.72 172.48 12.52 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.679 2.253 . . . . 0.0 112.377 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt 50.67 40.84 25.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -49.99 -48.0 52.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -175.98 135.38 2.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.452 HG23 ' N ' ' A' ' 18' ' ' LYS . 30.1 m -92.86 -41.8 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.928 0.394 . . . . 0.0 111.089 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.452 ' N ' HG23 ' A' ' 17' ' ' VAL . 8.5 mptt 43.22 44.5 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.7 p -65.18 105.44 1.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.194 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -126.53 148.11 49.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.423 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 41.9 p-10 -105.21 94.41 5.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.423 ' CG ' ' O ' ' A' ' 21' ' ' ASN . 70.1 m-80 -162.25 175.55 11.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -87.77 111.79 21.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.474 ' CE1' ' HG2' ' A' ' 42' ' ' LYS . 33.5 m-70 -143.81 175.61 9.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.443 HG22 ' O ' ' A' ' 86' ' ' GLU . 13.2 pt -140.9 137.62 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.168 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -103.6 111.66 24.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.812 HD22 ' HB2' ' A' ' 89' ' ' ASP . 6.2 mt -105.0 129.66 53.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -91.42 110.74 22.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.716 HG22 ' HB ' ' A' ' 91' ' ' ILE . 10.9 t -91.45 129.09 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.0 115.45 30.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.77 -151.83 9.26 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.49 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -100.65 -41.05 7.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.782 0.325 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -83.63 43.07 0.88 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.63 38.84 36.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.508 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.6 m -102.19 120.63 40.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.835 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.768 HG12 ' NE2' ' A' ' 38' ' ' GLN . 95.1 t -106.57 113.29 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.556 HG12 ' CE1' ' A' ' 39' ' ' PHE . 20.2 t -118.33 124.57 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.768 ' NE2' HG12 ' A' ' 36' ' ' VAL . 16.9 mp0 -96.37 163.09 13.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.718 ' CG ' HD13 ' A' ' 50' ' ' LEU . 91.1 m-85 -152.85 133.73 13.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -109.82 113.55 26.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.406 HD11 ' HG3' ' A' ' 80' ' ' PRO . 18.4 pt -134.72 -178.57 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.131 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.474 ' HG2' ' CE1' ' A' ' 24' ' ' HIS . 55.1 mttt -99.65 155.13 17.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.32 -27.96 69.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.441 ' CG ' ' O ' ' A' ' 44' ' ' HIS . 6.0 p80 -105.62 40.71 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.831 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.568 ' C ' HG22 ' A' ' 79' ' ' THR . 15.1 m -129.1 133.5 25.26 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.633 0.73 . . . . 0.0 111.087 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 48' ' ' SER . 53.7 Cg_endo -69.75 121.75 8.44 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.656 HD22 HD23 ' A' ' 50' ' ' LEU . 76.1 mt -42.95 -23.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 47' ' ' LEU . 7.4 t -34.0 -53.31 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -44.35 96.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.718 HD13 ' CG ' ' A' ' 39' ' ' PHE . 1.5 tp -58.15 -57.21 13.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.541 ' HG2' ' CE1' ' A' ' 67' ' ' PHE . 4.4 mtt -49.47 -66.81 0.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 51' ' ' MET . 24.5 mtpt -34.91 -55.95 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.28 -40.73 64.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.12 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.487 ' N ' ' O ' ' A' ' 51' ' ' MET . 53.6 t80 -58.18 -31.68 67.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 59' ' ' GLY . 74.6 m -76.25 -56.55 4.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.435 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 8.2 pt-20 -55.32 -44.37 75.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.435 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 33.5 ttm-85 -44.84 -49.56 10.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 70.6 mm-40 -98.63 -8.03 27.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 76.9 26.66 61.98 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.507 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.5 mt -96.18 -177.15 3.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.794 0.33 . . . . 0.0 110.937 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 t -102.13 175.09 5.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.4 ttt -93.93 -50.72 5.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.92 -6.95 9.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -92.16 -35.25 13.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.8 pt -105.69 165.2 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -140.11 145.29 37.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.809 ' HB3' HD11 ' A' ' 74' ' ' ILE . 87.8 m-85 -106.14 157.66 17.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.5 mtt180 -163.07 147.81 11.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.509 ' CE1' ' HB3' ' A' ' 89' ' ' ASP . 28.5 t80 -135.96 112.71 10.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.4 t70 70.58 25.15 4.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.8 34.29 28.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.524 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -135.88 138.23 27.33 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.579 0.704 . . . . 0.0 110.895 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 116.78 4.72 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.698 2.266 . . . . 0.0 112.294 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.809 HD11 ' HB3' ' A' ' 67' ' ' PHE . 10.0 pt -106.09 146.45 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -110.77 161.16 16.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -64.65 -39.23 93.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 75.5 p -64.68 -18.45 64.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.166 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.7 163.92 25.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.568 HG22 ' C ' ' A' ' 45' ' ' THR . 0.9 OUTLIER -120.52 160.77 42.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.579 0.704 . . . . 0.0 111.122 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.412 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.7 Cg_endo -69.72 -20.4 35.05 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.37 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.45 -27.04 46.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -74.12 -30.16 62.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.493 HD21 HG22 ' A' ' 74' ' ' ILE . 12.3 mt -87.61 10.66 17.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 60.58 48.43 7.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.489 ' HG2' ' CE2' ' A' ' 69' ' ' PHE . 8.9 mtt -91.26 138.6 31.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.557 ' CD ' ' N ' ' A' ' 86' ' ' GLU . 1.7 pm0 -119.27 -58.17 1.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -176.16 170.38 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 43.45 25.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.812 ' HB2' HD22 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -73.17 125.13 27.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.8 m -85.26 128.39 34.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.716 ' HB ' HG22 ' A' ' 29' ' ' VAL . 5.4 mt -100.57 145.38 11.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -107.53 121.2 44.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 99.5 t -139.64 147.08 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -111.35 109.89 20.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -85.89 106.85 17.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -98.36 156.68 16.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -123.61 151.96 42.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.8 p -70.06 145.04 51.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.8 t -72.14 125.49 27.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 149.37 85.48 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 133.44 25.51 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.701 2.267 . . . . 0.0 112.337 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.2 t -118.36 167.08 11.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.1 m -121.12 -59.0 1.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m 49.48 45.38 24.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.849 0.357 . . . . 0.0 110.844 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.8 p -77.76 172.15 13.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.87 116.73 1.1 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.447 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.2 p -153.03 151.75 30.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 110.871 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.2 p -147.85 150.86 34.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.53 118.8 2.06 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.14 167.44 4.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.322 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 40.66 32.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.087 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -120.53 -7.74 9.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -88.8 -32.72 17.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.493 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 2.7 mptm? -58.8 -59.97 11.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.53 0.681 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 53.7 Cg_endo -69.77 115.84 4.28 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.69 2.26 . . . . 0.0 112.307 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -106.75 148.52 28.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.31 154.18 41.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.5 176.63 53.46 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.6 m -84.8 164.33 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.918 0.39 . . . . 0.0 111.114 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -100.75 93.09 5.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.7 m -135.13 136.96 42.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -53.72 155.57 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -85.29 59.97 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -68.79 -37.4 79.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -113.82 -62.28 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.587 ' CE1' ' HG2' ' A' ' 42' ' ' LYS . 63.6 m-70 -55.28 160.17 2.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.739 HD11 ' HB2' ' A' ' 80' ' ' PRO . 33.6 pt -133.34 132.04 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.489 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -88.21 126.21 35.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.648 ' CD1' HD11 ' A' ' 91' ' ' ILE . 10.5 mt -116.19 121.72 42.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -91.0 107.28 19.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.839 HG22 ' HB ' ' A' ' 91' ' ' ILE . 21.4 t -89.97 116.22 30.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.14 154.0 18.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.39 178.72 17.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -73.89 -28.84 61.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.822 0.344 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 34' ' ' GLY . 24.6 t70 -90.78 47.75 1.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 33' ' ' ASP . . . 34.94 55.74 0.84 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.481 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 m -117.82 138.67 51.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.851 0.358 . . . . 0.0 110.857 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 49.1 t -126.27 127.8 71.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.161 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.453 HG12 ' CE1' ' A' ' 39' ' ' PHE . 10.3 t -136.81 125.9 36.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -96.77 158.03 15.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.643 ' CG ' HD13 ' A' ' 50' ' ' LEU . 91.5 m-85 -149.45 122.14 8.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -101.51 115.71 31.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.481 HD11 ' HG3' ' A' ' 80' ' ' PRO . 14.1 pt -140.4 179.48 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.587 ' HG2' ' CE1' ' A' ' 24' ' ' HIS . 49.4 mttt -89.74 158.02 17.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.589 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -70.74 -21.39 62.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -108.82 36.83 2.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.638 ' C ' HG22 ' A' ' 79' ' ' THR . 43.8 m -125.13 135.02 26.28 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.595 0.712 . . . . 0.0 111.126 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.502 ' HD2' HG23 ' A' ' 45' ' ' THR . 53.7 Cg_endo -69.74 126.23 13.09 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.25 . . . . 0.0 112.369 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.667 HD22 HD23 ' A' ' 50' ' ' LEU . 32.7 mt -49.76 -20.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 47' ' ' LEU . 21.7 t -34.5 -45.98 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.93 -43.55 62.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.886 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.667 HD23 HD22 ' A' ' 47' ' ' LEU . 1.4 tp -56.1 -53.44 57.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.473 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 3.0 mtt -59.9 -58.98 6.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.419 ' N ' ' HE1' ' A' ' 62' ' ' MET . 20.5 mttt -39.61 -48.42 2.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.83 84.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.626 ' CE2' HG11 ' A' ' 93' ' ' VAL . 62.0 t80 -60.95 -32.11 71.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' GLY . 99.7 m -73.06 -54.05 9.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 4.4 pt-20 -57.23 -43.56 82.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.43 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 39.5 ttt180 -48.49 -44.08 35.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -104.87 2.1 29.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' CYS . . . 59.83 37.5 92.6 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.531 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.3 mt -101.14 -176.31 3.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.5 m -108.47 132.28 53.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.466 ' CE ' ' HB2' ' A' ' 51' ' ' MET . 0.3 OUTLIER -49.56 -37.16 26.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.414 ' O ' ' NH1' ' A' ' 63' ' ' ARG . 13.5 tpt85 -75.63 -44.99 39.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -54.34 -30.39 51.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.9 pt -115.18 168.81 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 -143.75 162.74 35.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.698 ' HB3' HD11 ' A' ' 74' ' ' ILE . 63.0 m-85 -120.64 155.67 33.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.5 mtt180 -153.66 150.12 28.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.652 ' CD1' ' CE ' ' A' ' 85' ' ' MET . 76.5 t80 -137.69 110.44 7.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.1 t0 69.06 28.03 5.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.22 29.16 41.91 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.49 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -139.55 143.58 36.1 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.558 0.694 . . . . 0.0 110.926 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 122.39 9.07 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.718 2.279 . . . . 0.0 112.358 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.698 HD11 ' HB3' ' A' ' 67' ' ' PHE . 1.7 pt -101.54 144.16 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -106.35 131.54 53.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -39.97 -40.94 1.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 41.3 p -59.08 -44.72 91.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.117 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -56.0 148.03 18.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.842 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.638 HG22 ' C ' ' A' ' 45' ' ' THR . 0.7 OUTLIER -105.71 160.64 25.4 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.601 0.715 . . . . 0.0 111.124 -179.882 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.739 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.4 Cg_endo -69.75 -12.7 33.45 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.702 2.268 . . . . 0.0 112.339 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 43' ' ' ARG . . . -87.51 -27.65 22.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -71.44 -34.42 70.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.6 mt -92.65 9.24 35.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 55.57 48.62 18.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.652 ' CE ' ' CD1' ' A' ' 69' ' ' PHE . 7.8 mtt -69.89 120.65 15.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -84.94 177.3 8.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -75.5 149.35 38.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 55.51 25.54 7.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -58.97 -175.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 44.9 m -138.12 122.28 18.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.839 ' HB ' HG22 ' A' ' 29' ' ' VAL . 3.4 mt -98.23 147.54 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -105.56 121.14 43.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.626 HG11 ' CE2' ' A' ' 54' ' ' TYR . 43.2 t -136.7 156.37 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.447 ' N ' ' CG1' ' A' ' 93' ' ' VAL . 17.1 m-85 -116.62 109.77 17.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -95.1 108.22 20.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -74.8 148.12 40.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -111.19 52.18 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.6 m -94.9 93.83 7.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 51.9 p -175.02 144.95 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -153.57 -96.59 0.13 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -16.91 37.72 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.623 2.215 . . . . 0.0 112.351 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 96.8 p -45.08 131.46 7.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.816 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.7 t -142.02 114.25 8.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.51 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.6 m -128.47 155.15 45.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.914 0.388 . . . . 0.0 110.824 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 t -106.43 100.33 9.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.56 165.3 15.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 t 58.13 44.1 19.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.372 . . . . 0.0 110.882 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.3 p -44.05 -50.76 8.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.802 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.89 -152.01 17.2 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.5 tpp -130.33 147.41 52.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -45.07 -49.04 11.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.067 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -109.8 105.14 14.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -128.9 43.7 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.443 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 42.4 tttt 62.08 54.46 2.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.586 0.708 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.443 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 53.1 Cg_endo -69.81 106.82 1.74 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.263 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.409 ' HD3' ' C ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -45.33 156.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -47.16 113.71 0.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -54.47 153.63 9.86 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.547 HG12 HG23 ' A' ' 19' ' ' THR . 63.7 t -124.09 129.17 74.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.921 0.391 . . . . 0.0 111.119 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -76.96 102.2 6.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.547 HG23 HG12 ' A' ' 17' ' ' VAL . 29.4 p -135.54 141.14 45.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.12 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 21' ' ' ASN . 25.3 tt0 -43.31 -44.57 5.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 20' ' ' GLU . 4.8 t-20 -34.56 -52.01 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -38.0 145.71 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -165.59 124.33 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.43 ' NE2' ' HG2' ' A' ' 42' ' ' LYS . 9.5 m80 -128.84 158.41 38.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.626 HD11 ' HB2' ' A' ' 80' ' ' PRO . 36.2 pt -118.92 131.61 71.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.487 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -88.09 129.91 35.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.643 ' CD1' HD11 ' A' ' 91' ' ' ILE . 1.6 mt -124.83 126.45 45.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.649 ' O ' HG23 ' A' ' 90' ' ' THR . 15.3 mttm -90.9 113.72 25.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.662 HG22 ' HB ' ' A' ' 91' ' ' ILE . 65.2 t -92.11 116.19 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.55 130.44 44.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -140.6 -58.78 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.51 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -84.52 175.13 9.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -78.58 40.11 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 158.27 -15.34 0.27 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.499 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 t -81.73 124.07 29.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.95 0.405 . . . . 0.0 110.884 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.8 t -128.45 116.37 41.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.537 HG12 ' CE1' ' A' ' 39' ' ' PHE . 11.9 t -106.52 121.95 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -95.41 159.25 15.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.723 ' CG ' HD13 ' A' ' 50' ' ' LEU . 90.5 m-85 -149.51 126.78 11.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.8 ttpt -108.7 107.17 17.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.5 pt -127.69 -179.69 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.43 ' HG2' ' NE2' ' A' ' 24' ' ' HIS . 82.7 mttt -91.52 167.8 11.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -75.44 -39.68 58.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -87.96 9.69 21.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.473 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 2.4 m -99.79 130.75 25.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.542 0.686 . . . . 0.0 111.184 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 140.77 43.62 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.561 HD22 HD23 ' A' ' 50' ' ' LEU . 50.9 mt -56.65 -21.01 24.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 47' ' ' LEU . 91.4 p -35.67 -50.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -65.29 -40.92 94.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.723 HD13 ' CG ' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -61.37 -57.39 12.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.419 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 2.7 mtt -53.38 -47.46 69.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -56.41 -51.07 69.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.69 -18.83 61.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.092 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.46 ' CE2' HG11 ' A' ' 93' ' ' VAL . 84.4 t80 -84.93 -33.04 22.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 45.3 m -77.57 -36.85 51.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.42 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 7.1 pt-20 -72.18 -44.01 63.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.531 ' NH1' HG13 ' A' ' 37' ' ' VAL . 49.5 ttt180 -48.1 -62.05 1.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -75.64 -49.4 18.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.52 37.19 1.21 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.522 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 mt -109.49 -179.54 3.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.822 0.344 . . . . 0.0 110.921 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.5 m -105.79 142.86 34.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.6 mtt -52.15 -48.76 64.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -63.17 -44.35 95.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -53.53 -37.27 62.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.1 pt -105.9 166.85 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -141.46 137.79 32.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.763 ' HB3' HD11 ' A' ' 74' ' ' ILE . 96.8 m-85 -101.38 158.68 15.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -160.04 153.14 21.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.486 ' CD1' ' CE ' ' A' ' 85' ' ' MET . 77.0 t80 -140.13 112.35 7.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.9 t0 68.55 24.98 6.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.11 33.92 22.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -140.97 143.33 31.1 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.611 0.72 . . . . 0.0 110.9 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 116.39 4.54 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.361 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.763 HD11 ' HB3' ' A' ' 67' ' ' PHE . 3.1 pt -101.43 150.48 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -116.02 154.21 30.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -60.19 -34.13 73.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 77.3 p -64.28 -33.95 76.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.186 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -66.82 156.99 34.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.04 158.85 35.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.534 0.683 . . . . 0.0 111.158 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.626 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.5 Cg_endo -69.82 -15.22 36.77 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.86 -22.37 27.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.072 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -72.92 -35.36 67.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.5 mt -96.65 17.63 16.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 48.1 48.45 18.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.486 ' CE ' ' CD1' ' A' ' 69' ' ' PHE . 7.5 mtt -66.61 98.56 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -62.51 172.17 1.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -75.68 143.51 42.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 62.99 26.81 15.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -66.94 -174.91 0.37 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.649 HG23 ' O ' ' A' ' 28' ' ' LYS . 93.2 m -138.87 128.38 24.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.662 ' HB ' HG22 ' A' ' 29' ' ' VAL . 11.1 mt -98.3 156.63 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.436 ' N ' HG22 ' A' ' 91' ' ' ILE . 76.9 m-20 -112.41 125.51 54.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.537 HG12 ' N ' ' A' ' 94' ' ' PHE . 89.6 t -145.42 159.29 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.537 ' N ' HG12 ' A' ' 93' ' ' VAL . 5.7 m-85 -121.7 114.47 21.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -91.8 106.55 18.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -87.88 130.99 34.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -98.29 105.0 17.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 61.0 p -62.78 -53.56 52.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 61.1 m -143.53 166.4 24.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -53.68 -94.73 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 97.86 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.7 2.267 . . . . 0.0 112.326 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.5 p -88.32 41.24 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 51.6 m -91.8 138.54 31.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.444 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -126.04 116.92 22.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.868 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 m -155.13 164.74 38.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.51 -165.87 25.72 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.5 p -160.97 151.17 17.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.836 0.35 . . . . 0.0 110.87 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.6 t -164.79 150.54 10.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.63 69.99 0.44 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.4 mtt -138.52 135.97 35.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.76 0.314 . . . . 0.0 110.929 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.21 39.45 2.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -76.39 86.06 3.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 12' ' ' LYS . 44.4 mt-10 -101.22 41.99 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.457 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER 35.34 53.31 1.78 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.55 0.691 . . . . 0.0 110.921 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 54.1 Cg_endo -69.73 84.12 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.692 2.262 . . . . 0.0 112.376 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -146.05 129.24 16.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -132.53 171.75 13.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 143.47 54.96 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.482 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.4 p -92.79 130.51 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.948 0.404 . . . . 0.0 111.158 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.73 -52.46 4.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.1 m -44.73 133.73 5.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -80.14 153.49 28.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -109.13 124.86 51.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -101.27 -47.94 4.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.512 ' O ' ' CG ' ' A' ' 24' ' ' HIS . 28.2 t0 -161.96 126.94 3.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 23' ' ' ASP . 8.3 m-70 -161.93 169.23 21.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.719 HG22 ' O ' ' A' ' 86' ' ' GLU . 5.9 pt -124.91 152.97 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -117.2 108.88 16.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.632 ' CD1' HD11 ' A' ' 91' ' ' ILE . 2.9 mt -103.16 128.04 50.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -91.71 112.95 25.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.741 HG22 ' HB ' ' A' ' 91' ' ' ILE . 61.3 t -90.46 129.03 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.112 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.95 146.13 37.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -148.59 -177.62 23.0 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 33' ' ' ASP . 1.4 mp0 -71.83 -51.79 20.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 0.0 110.926 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 32' ' ' GLN . 10.8 m-20 -37.03 -40.89 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.65 30.79 6.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.528 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.5 m -126.32 95.42 4.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.386 . . . . 0.0 110.874 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.7 t -59.91 125.28 15.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.64 HG12 ' CE1' ' A' ' 39' ' ' PHE . 21.7 t -113.42 122.66 67.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.114 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -98.36 163.04 12.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.795 ' CG ' HD13 ' A' ' 50' ' ' LEU . 96.5 m-85 -153.2 138.14 17.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -113.35 106.83 15.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.5 pt -129.81 178.74 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -94.5 166.89 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.563 ' HB3' ' HB2' ' A' ' 81' ' ' ALA . 52.9 mtm180 -71.0 -40.77 71.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -86.28 -4.9 59.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.836 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.443 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 3.4 m -83.87 127.94 65.21 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.704 . . . . 0.0 111.155 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 140.17 41.91 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.64 HD22 HD23 ' A' ' 50' ' ' LEU . 59.0 mt -58.09 -15.1 8.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 47' ' ' LEU . 68.6 p -35.75 -59.24 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -58.82 -47.26 85.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.795 HD13 ' CG ' ' A' ' 39' ' ' PHE . 1.2 tp -51.08 -57.26 9.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.466 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 2.7 mtt -52.31 -48.92 65.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -56.0 -53.3 58.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.7 -23.65 59.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.08 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.542 ' CE2' HG11 ' A' ' 93' ' ' VAL . 82.8 t80 -81.28 -38.81 26.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.4 ' SG ' ' N ' ' A' ' 56' ' ' GLU . 3.0 p -76.21 -40.16 52.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.4 ' N ' ' SG ' ' A' ' 55' ' ' CYS . 4.9 pt-20 -70.69 -41.65 71.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -50.28 -53.97 24.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -80.59 -47.52 14.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.35 27.09 2.73 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.0 mt -100.89 -179.77 4.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.0 m -108.91 155.05 21.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 10.3 mtt -74.03 -28.29 61.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -80.73 -3.41 50.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -103.25 -37.14 7.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 27.0 pt -100.22 173.12 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 -147.62 136.05 21.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.783 ' HB3' HD11 ' A' ' 74' ' ' ILE . 92.5 m-85 -99.59 152.43 20.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -159.75 147.63 17.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.595 ' CE1' ' HE2' ' A' ' 85' ' ' MET . 29.9 t80 -137.21 116.12 12.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.9 t70 64.24 28.98 13.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.846 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.49 37.6 46.48 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.519 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -136.27 139.91 31.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.602 0.715 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 114.97 3.88 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.746 2.297 . . . . 0.0 112.31 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.783 HD11 ' HB3' ' A' ' 67' ' ' PHE . 15.3 pt -106.66 153.54 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -127.64 155.06 44.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.413 ' HB2' ' CB ' ' A' ' 48' ' ' SER . 6.6 pt-20 -54.97 -33.04 62.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 61.1 p -68.38 -33.05 73.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -63.66 172.57 2.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.5 p -128.27 158.84 70.05 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.551 0.691 . . . . 0.0 111.134 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.492 ' HB2' ' CD1' ' A' ' 25' ' ' ILE . 54.3 Cg_endo -69.72 -28.5 25.35 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.675 2.25 . . . . 0.0 112.353 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.563 ' HB2' ' HB3' ' A' ' 43' ' ' ARG . . . -74.69 -20.93 59.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.057 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -77.13 -33.47 56.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.556 HD21 HG22 ' A' ' 74' ' ' ILE . 5.8 mt -85.07 9.59 14.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 65.91 44.33 2.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.595 ' HE2' ' CE1' ' A' ' 69' ' ' PHE . 16.3 mtt -86.66 137.53 32.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.719 ' O ' HG22 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -116.49 -62.89 1.52 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 89' ' ' ASP . 30.7 t70 -175.47 170.69 2.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 39.32 25.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 87' ' ' ASP . 24.0 m-20 -62.06 -175.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.7 m -138.68 126.56 22.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.741 ' HB ' HG22 ' A' ' 29' ' ' VAL . 6.0 mt -106.06 146.37 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -107.92 121.01 43.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.542 HG11 ' CE2' ' A' ' 54' ' ' TYR . 61.9 t -140.85 141.55 31.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -106.66 109.77 21.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -88.91 113.42 24.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -97.25 146.04 25.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -120.44 -44.52 2.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 99' ' ' SER . 6.3 m 48.76 46.84 21.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 98' ' ' THR . 95.5 p 36.97 38.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -68.49 -158.19 1.28 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.532 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 170.53 16.3 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.689 2.259 . . . . 0.0 112.338 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.9 t -96.96 121.5 38.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 37.9 t -83.9 -42.55 16.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 -179.956 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -160.61 161.24 32.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.907 0.384 . . . . 0.0 110.822 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.9 m -153.61 147.08 24.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.58 -155.53 14.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.532 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 t -139.2 171.43 14.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.825 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 m -48.97 173.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.95 55.41 0.21 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.456 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.7 mtt -126.39 149.62 49.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.819 0.342 . . . . 0.0 110.831 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.71 166.16 16.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.67 -36.5 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -71.02 -31.78 68.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.497 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -42.32 -60.25 2.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.569 0.7 . . . . 0.0 110.883 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 53.7 Cg_endo -69.71 112.94 3.21 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.637 2.224 . . . . 0.0 112.381 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -174.79 141.26 0.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -163.21 151.81 14.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -174.74 67.5 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.4 t -99.44 131.02 47.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 111.116 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.41 ' HD2' ' C ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -162.33 172.37 15.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.4 t -136.47 157.74 46.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -146.61 163.28 36.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -101.25 101.95 12.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.496 ' HB3' ' CD2' ' A' ' 24' ' ' HIS . 16.1 t-20 -171.03 164.54 7.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.45 ' C ' ' CD2' ' A' ' 24' ' ' HIS . 3.5 m-20 -79.5 102.64 8.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.582 ' CE1' ' HG2' ' A' ' 42' ' ' LYS . 22.0 m-70 -145.28 168.45 20.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.652 HD11 ' HB2' ' A' ' 80' ' ' PRO . 23.6 pt -128.68 136.53 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -100.08 117.97 35.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.7 ' CD1' HD11 ' A' ' 91' ' ' ILE . 2.7 mt -110.48 124.52 51.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -91.04 110.82 22.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.799 HG22 ' HB ' ' A' ' 91' ' ' ILE . 21.5 t -90.17 134.76 28.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -116.58 122.08 43.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -158.86 -53.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.428 ' CD ' ' HB3' ' A' ' 35' ' ' SER . 12.0 mt-30 -45.08 170.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.797 0.332 . . . . 0.0 110.932 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -86.28 26.82 0.99 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 145.79 33.6 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.428 ' HB3' ' CD ' ' A' ' 32' ' ' GLN . 8.8 t -146.46 133.64 20.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.936 0.398 . . . . 0.0 110.866 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 77.0 t -106.11 131.55 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.7 t -109.2 122.11 63.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -101.04 156.91 17.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.627 ' CB ' HD13 ' A' ' 50' ' ' LEU . 92.1 m-85 -146.98 131.46 17.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -108.37 108.16 19.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.3 pt -130.15 -179.13 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.152 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.582 ' HG2' ' CE1' ' A' ' 24' ' ' HIS . 26.9 mttm -96.0 171.1 8.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -75.53 -40.39 57.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -85.66 -2.27 58.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.751 HG23 ' HE3' ' A' ' 49' ' ' LYS . 17.5 m -85.31 126.76 66.24 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.554 0.692 . . . . 0.0 111.166 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 132.49 23.5 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.682 2.255 . . . . 0.0 112.369 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.63 HD22 HD23 ' A' ' 50' ' ' LEU . 85.9 mt -44.13 -23.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' LEU . 9.5 t -34.56 -54.97 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.751 ' HE3' HG23 ' A' ' 45' ' ' THR . 13.1 mtmm -61.51 -43.5 98.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.914 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.63 HD23 HD22 ' A' ' 47' ' ' LEU . 2.6 tp -57.24 -54.6 44.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.411 ' HB2' ' CE ' ' A' ' 62' ' ' MET . 1.8 mtt -58.25 -51.95 67.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.2 mtpp -52.45 -34.65 49.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.29 -23.49 59.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.08 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.439 ' OH ' ' NE2' ' A' ' 95' ' ' GLN . 1.6 t80 -78.27 -48.43 15.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 9.9 p -60.45 -40.04 89.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.511 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 4.7 pt-20 -68.21 -48.74 64.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.511 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 10.9 ttm-85 -42.21 -48.75 4.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -93.03 -18.68 22.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.78 21.7 49.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.471 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.563 HD22 HE22 ' A' ' 64' ' ' GLN . 5.2 mt -96.39 -176.49 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.815 0.341 . . . . 0.0 110.924 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.7 t -103.2 139.9 38.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.411 ' CE ' ' HB2' ' A' ' 51' ' ' MET . 35.8 mmm -51.06 -51.17 55.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -61.95 -35.92 79.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.563 HE22 HD22 ' A' ' 60' ' ' LEU . 17.9 tt0 -56.78 -42.19 78.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.602 HG22 ' CB ' ' A' ' 95' ' ' GLN . 46.7 pt -100.71 152.02 5.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.455 ' HD3' ' N ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -112.14 155.02 24.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.611 ' HA ' HG22 ' A' ' 93' ' ' VAL . 51.8 m-85 -125.75 151.05 47.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 92' ' ' ASP . 27.6 mtt180 -152.14 158.94 43.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.453 ' CD2' ' HE3' ' A' ' 85' ' ' MET . 25.0 t80 -148.36 108.62 4.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.0 t70 68.3 27.89 6.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.46 33.49 31.36 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -142.24 144.0 29.67 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 0.0 110.954 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 122.75 9.42 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.74 2.293 . . . . 0.0 112.302 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.452 HD11 ' HB3' ' A' ' 67' ' ' PHE . 1.9 pt -105.75 152.6 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -122.22 161.03 24.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -64.44 -29.29 70.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 58.5 p -68.85 -44.29 73.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.55 146.43 25.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.04 157.76 33.54 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.59 0.71 . . . . 0.0 111.138 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.652 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.4 Cg_endo -69.81 -10.72 29.2 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.24 . . . . 0.0 112.336 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -90.73 -25.07 20.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -71.39 -34.63 70.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.4 mt -93.3 7.51 44.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 59.83 43.55 14.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.453 ' HE3' ' CD2' ' A' ' 69' ' ' PHE . 7.3 mtp -67.96 106.41 2.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 10.5 pt-20 -90.4 165.35 13.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -59.08 148.33 31.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 65.41 37.21 6.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 86' ' ' GLU . 27.8 m-20 -80.74 -176.17 5.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 88.7 m -144.51 120.28 10.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.799 ' HB ' HG22 ' A' ' 29' ' ' VAL . 2.8 mt -99.65 148.03 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 68' ' ' ARG . 0.9 OUTLIER -105.51 120.73 42.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.611 HG22 ' HA ' ' A' ' 67' ' ' PHE . 14.4 t -142.41 155.01 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.459 ' N ' ' CG1' ' A' ' 93' ' ' VAL . 1.5 m-85 -139.79 109.41 6.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.602 ' CB ' HG22 ' A' ' 65' ' ' ILE . 7.6 pm0 -121.21 142.63 49.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -97.26 145.02 26.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -66.03 155.15 37.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.973 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 76.8 p -118.7 172.88 7.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.147 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 59.5 p -43.66 131.51 5.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 107.39 137.01 8.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.525 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 146.88 61.91 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.737 2.291 . . . . 0.0 112.363 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 72.8 m -142.86 151.52 41.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 34.7 p -169.51 124.48 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.518 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.3 p -170.55 138.12 1.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.931 0.396 . . . . 0.0 110.797 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 m -150.54 151.37 32.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.885 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.75 96.87 0.27 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -138.24 128.91 26.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.899 0.38 . . . . 0.0 110.879 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 m -120.77 -54.27 2.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.86 65.63 2.79 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.7 tpt -62.88 105.4 0.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.832 0.349 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.23 -57.28 3.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.104 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.3 t0 59.22 40.88 21.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -99.45 -42.12 7.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.492 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 2.6 mmmp? -37.17 -60.05 0.89 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.605 0.717 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 54.1 Cg_endo -69.77 109.75 2.39 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.3 pttt -172.0 138.62 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -163.83 145.2 8.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.74 91.71 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.455 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.545 HG13 ' HG2' ' A' ' 18' ' ' LYS . 8.2 p -71.0 -29.38 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.545 ' HG2' HG13 ' A' ' 17' ' ' VAL . 11.6 ptmt -156.62 150.11 24.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.528 HG23 ' O ' ' A' ' 19' ' ' THR . 11.9 t -132.03 40.16 3.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.14 -61.28 2.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -139.13 177.27 8.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -124.08 75.81 1.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -115.37 31.18 6.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -103.74 155.57 18.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.441 HD11 ' HB2' ' A' ' 80' ' ' PRO . 13.1 pt -113.57 154.97 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.154 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.584 ' C ' HD23 ' A' ' 27' ' ' LEU . 15.5 m-20 -116.48 131.95 56.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.911 ' CD1' HD11 ' A' ' 91' ' ' ILE . 2.2 mt -119.8 130.86 55.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -94.64 116.36 28.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.443 HG22 ' HB ' ' A' ' 91' ' ' ILE . 19.9 t -94.96 123.5 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.93 124.29 51.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.121 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -130.2 -14.11 2.05 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -140.79 163.0 34.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -79.1 39.15 0.37 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -179.24 -26.98 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.496 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.3 m -92.72 136.73 32.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.925 0.393 . . . . 0.0 110.843 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.527 HG12 ' OE1' ' A' ' 38' ' ' GLN . 55.9 t -143.44 120.17 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.472 HG12 ' CE1' ' A' ' 39' ' ' PHE . 5.4 t -115.58 124.04 71.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.527 ' OE1' HG12 ' A' ' 36' ' ' VAL . 0.9 OUTLIER -97.24 164.34 12.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.712 ' CB ' HD13 ' A' ' 50' ' ' LEU . 70.5 m-85 -154.25 136.59 14.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.426 ' C ' ' HD2' ' A' ' 40' ' ' LYS . 0.5 OUTLIER -117.99 133.91 55.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.9 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.6 pt -147.74 -178.74 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -93.44 153.84 18.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.7 mtp85 -61.27 -31.36 71.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -96.66 4.78 51.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.9 m -95.7 129.91 33.22 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.599 0.714 . . . . 0.0 111.117 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 151.02 68.83 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.724 2.283 . . . . 0.0 112.324 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.761 HD22 HD23 ' A' ' 50' ' ' LEU . 44.6 mt -68.53 -11.68 60.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.1 p -41.72 -41.1 2.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.819 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -77.5 -47.99 18.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.761 HD23 HD22 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -50.35 -51.41 45.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.493 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 16.9 mtt -56.47 -53.4 57.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -52.19 -50.39 61.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.9 -22.49 59.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.124 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.648 ' CE2' HG11 ' A' ' 93' ' ' VAL . 77.7 t80 -87.44 -22.77 24.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.6 p -87.16 -34.1 19.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 57' ' ' ARG . 5.8 pt-20 -70.99 -45.68 63.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.457 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 9.9 ttt-85 -46.28 -51.14 15.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.42 ' HG3' ' NE2' ' A' ' 95' ' ' GLN . 57.4 mm-40 -86.73 -30.0 21.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.85 32.94 7.66 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -102.05 175.13 5.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.844 0.354 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 m -94.98 136.85 34.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.433 ' CE ' ' HB2' ' A' ' 51' ' ' MET . 2.7 ttt -50.65 -49.21 57.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.5 ptp85 -65.68 -20.89 66.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -74.69 -37.38 62.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.2 pt -101.35 155.25 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.8 tpp180 -126.5 144.83 50.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.688 ' HB3' HD11 ' A' ' 74' ' ' ILE . 16.2 m-85 -114.66 142.57 46.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.413 ' HE ' ' CB ' ' A' ' 92' ' ' ASP . 25.8 ptt180 -151.27 143.77 24.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.545 ' CE1' ' CG ' ' A' ' 70' ' ' ASP . 6.9 t80 -131.09 131.05 43.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.545 ' CG ' ' CE1' ' A' ' 69' ' ' PHE . 5.0 m-20 63.58 29.89 15.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.14 27.61 59.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -138.57 142.83 35.82 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 110.875 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 111.83 2.91 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.683 2.256 . . . . 0.0 112.342 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.688 HD11 ' HB3' ' A' ' 67' ' ' PHE . 2.3 pt -93.11 146.12 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -105.87 157.25 17.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -60.59 -37.18 80.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 77.6 p -62.6 -42.82 99.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.166 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -55.16 147.09 17.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.94 160.8 24.88 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.574 0.702 . . . . 0.0 111.157 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.441 ' HB2' HD11 ' A' ' 25' ' ' ILE . 53.9 Cg_endo -69.74 -23.93 30.33 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.82 -25.27 48.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -71.7 -37.13 70.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 mt -96.49 26.05 4.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 40.16 49.76 2.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.4 mtt -66.6 119.56 11.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -88.66 177.31 6.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -78.52 150.35 32.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 57.35 29.79 17.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.444 ' HB3' HD22 ' A' ' 27' ' ' LEU . 5.0 t70 -66.16 -175.97 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.0 m -140.51 120.5 13.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.911 HD11 ' CD1' ' A' ' 27' ' ' LEU . 3.2 mt -100.49 146.1 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.413 ' CB ' ' HE ' ' A' ' 68' ' ' ARG . 5.5 m-20 -105.73 123.64 48.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.648 HG11 ' CE2' ' A' ' 54' ' ' TYR . 74.1 t -139.44 146.59 25.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 94' ' ' PHE . 4.1 m-85 -105.11 113.95 27.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.42 ' NE2' ' HG3' ' A' ' 58' ' ' GLN . 25.0 mt-30 -90.48 110.11 21.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -103.9 119.01 38.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -122.49 162.89 20.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.0 t -116.89 143.84 45.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.403 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 40.9 m 54.85 40.67 32.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.57 84.89 0.41 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 99' ' ' SER . 53.7 Cg_endo -69.79 0.92 4.97 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.673 2.248 . . . . 0.0 112.344 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.1 m -65.83 127.14 30.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.2 m -138.01 141.66 40.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.931 . . . . . . . . 0 0 . 1 stop_ save_