data_2aqc_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 2aqc _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 ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.808 0.337 . . . . 75.24 110.908 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -135.76 145.89 47.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 73.23 110.895 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.2 t -72.38 117.64 60.6 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.57 0.7 . . . . 62.32 110.878 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -5.44 16.25 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.679 2.253 . . . . 75.01 112.321 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.49 -43.83 7.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 74.4 110.89 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.7 m -109.24 -56.8 2.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 75.13 110.9 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.07 25.06 2.34 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 60.5 112.503 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.8 tp -91.24 133.86 35.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.763 0.316 . . . . 71.35 110.922 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -87.47 146.7 25.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 74.3 110.901 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.2 t -175.6 166.8 3.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 74.52 111.137 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 mt -116.23 14.41 15.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 75.33 110.919 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -92.65 -0.34 57.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 75.54 110.91 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 62.53 11.04 4.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 75.11 110.928 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.8 mm -144.01 145.42 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 72.41 111.134 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.1 t -90.1 111.06 44.65 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.611 0.72 . . . . 75.12 110.918 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -6.81 19.5 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.676 2.251 . . . . 75.53 112.345 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.01 -60.23 2.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 75.33 110.877 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.2 p -102.67 -36.12 8.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 71.33 110.888 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.02 27.83 4.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 63.13 112.473 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -109.28 138.03 46.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.901 0.381 . . . . 63.3 110.865 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm -50.88 143.39 10.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 74.32 110.905 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -92.18 150.68 20.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 73.22 111.132 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.4 m -129.17 156.89 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 62.25 111.157 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.8 mm -63.4 113.22 8.91 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.654 0.74 . . . . 74.32 111.116 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.69 2.26 . . . . 74.5 112.377 179.879 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 12.7 m95 . . . . . 0 C--O 1.23 0.03 0 CA-C-O 120.84 0.352 . . . . 73.42 110.946 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.51 -87.42 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 73.11 112.47 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -52.97 -28.86 25.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 70.32 110.949 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -53.98 -28.27 36.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 75.43 110.957 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.8 ttt-85 -52.66 -32.29 41.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 74.35 110.836 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.1 mmm-85 -61.29 -32.86 72.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 74.14 110.896 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 6.4 ttm -115.52 25.54 10.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.2 110.892 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.8 tt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.919 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.819 0.342 . . . . 71.44 110.936 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -145.54 148.78 33.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 70.31 110.885 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.0 t -72.53 116.47 49.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.647 0.737 . . . . 70.12 110.868 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -6.07 17.7 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.72 2.28 . . . . 74.01 112.368 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -95.09 -45.1 7.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 74.53 110.915 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.9 m -107.4 -56.75 2.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 73.02 110.876 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.96 26.62 2.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.787 -0.72 . . . . 74.23 112.432 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.9 tp -90.79 132.84 35.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 75.1 110.92 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -84.85 143.39 29.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 74.51 110.993 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.5 t -175.17 175.15 2.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 71.42 111.124 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 mt -126.54 7.67 6.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 71.12 110.965 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -83.88 -0.16 50.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 75.53 110.888 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 63.06 10.44 4.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 75.52 110.925 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.6 mm -144.1 144.9 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 64.5 111.143 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.5 t -89.98 111.02 44.18 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.553 0.692 . . . . 63.3 110.907 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -6.61 19.01 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.675 2.25 . . . . 72.32 112.353 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.84 -60.92 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 74.54 110.96 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.6 p -100.92 -35.87 9.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 73.14 110.933 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.44 28.49 5.13 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.76 -0.733 . . . . 63.44 112.506 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -110.49 138.01 47.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 73.32 110.903 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -50.52 142.76 10.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 72.53 110.938 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -91.91 159.46 15.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 72.33 111.136 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.4 m -136.03 154.79 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 70.31 111.191 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.5 mm -63.93 113.03 8.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.661 0.743 . . . . 74.31 111.083 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.175 0 C-N-CA 122.714 2.276 . . . . 73.13 112.286 179.879 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 32.7 m95 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.8 0.333 . . . . 71.21 110.884 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.2 -87.2 0.19 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 72.35 112.476 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -51.88 -31.75 29.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.32 . . . . 72.44 110.893 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -77.57 -33.29 54.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 73.23 110.886 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.7 tpp85 -58.9 -31.05 68.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 71.05 110.915 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -57.03 -32.98 66.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 74.51 110.87 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.7 mtm -96.7 -29.26 13.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 70.22 110.851 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 65.25 110.904 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.811 0.338 . . . . 72.21 110.938 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -134.68 147.33 50.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 72.31 110.865 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.7 t -71.93 117.26 56.38 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.631 0.729 . . . . 65.23 110.873 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -5.84 17.15 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.644 2.229 . . . . 64.42 112.329 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.43 -43.26 7.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 73.23 110.865 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.7 m -107.99 -57.18 2.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 74.14 110.885 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.02 21.51 3.14 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.68 -0.771 . . . . 62.33 112.493 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.8 tp -87.53 133.65 33.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.764 0.316 . . . . 75.14 110.968 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -87.35 147.84 25.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.025 0.441 . . . . 72.34 110.919 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.7 t -175.16 175.68 2.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 72.13 111.149 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 mt -122.68 1.45 9.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 73.43 110.9 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -80.29 -1.1 39.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.904 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 63.22 10.29 4.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.412 . . . . 72.12 110.899 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.5 mm -143.06 145.73 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 74.53 111.072 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.8 t -88.71 111.34 43.6 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.609 0.719 . . . . 75.4 110.887 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -7.56 21.39 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 73.25 112.368 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.75 -60.54 2.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 73.44 110.855 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.1 p -103.08 -36.75 8.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.274 -0.421 . . . . 75.53 110.899 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.04 28.33 4.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.741 . . . . 73.21 112.501 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -107.87 136.52 47.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.96 0.409 . . . . 74.01 110.89 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -51.4 139.59 19.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.496 . . . . 74.41 110.867 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.6 p -91.24 156.76 17.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 54.24 111.197 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.1 m -130.8 153.24 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 61.01 111.177 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.8 mm -60.99 112.25 5.45 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.636 0.731 . . . . 73.44 111.13 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.735 2.29 . . . . 73.35 112.306 179.89 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 14.7 m95 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.854 0.359 . . . . 75.13 110.931 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.11 -29.13 27.86 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 43.53 112.445 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -88.45 -25.67 22.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.728 0.299 . . . . 65.5 110.859 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -52.99 -28.83 25.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.94 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -52.4 -33.24 42.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 73.44 110.869 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -58.53 -31.78 68.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.275 -0.42 . . . . 73.33 110.885 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.2 tpt -97.71 -26.24 14.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 74.43 110.884 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.3 tt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 65.33 110.916 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.8 0.333 . . . . 75.2 110.897 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -144.07 148.93 35.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 74.02 110.942 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.2 t -72.76 116.55 51.14 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.619 0.724 . . . . 74.44 110.903 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -6.08 17.7 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.714 2.276 . . . . 74.23 112.304 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -94.82 -46.0 7.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 74.2 110.913 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.4 m -106.52 -56.51 2.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 74.24 110.839 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.17 29.09 1.7 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 74.44 112.476 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.0 tp -94.17 133.21 37.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 74.02 110.909 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -84.48 144.42 28.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 72.13 110.924 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.9 t -174.71 175.04 2.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 73.23 111.145 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 mt -125.32 2.86 7.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 74.11 110.883 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -79.07 -1.44 35.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 74.31 110.881 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 65.31 7.99 4.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 74.05 110.861 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.3 mm -143.56 145.66 22.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 70.41 111.162 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.3 t -86.7 111.73 41.91 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.564 0.697 . . . . 74.32 110.921 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -6.1 17.79 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.653 2.236 . . . . 64.33 112.405 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.32 -61.63 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 74.24 110.929 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.5 p -99.95 -36.14 9.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 64.22 110.87 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.3 29.48 5.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 73.51 112.438 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -109.8 139.13 45.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.913 0.387 . . . . 74.31 110.85 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.79 140.52 14.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 74.34 110.897 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.37 158.63 15.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 64.4 111.172 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.8 m -135.93 160.25 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 71.35 111.164 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.9 mm -64.88 113.38 10.77 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.656 0.741 . . . . 75.35 111.072 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.166 0 C-N-CA 122.719 2.279 . . . . 73.51 112.322 179.855 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 25.0 m0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.748 0.309 . . . . 72.25 110.887 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.7 -89.19 0.15 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 73.41 112.533 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -51.8 -32.38 31.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.795 0.331 . . . . 74.23 110.896 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -84.39 -32.31 24.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 75.5 110.945 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -60.32 -26.53 66.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 75.5 110.873 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.7 tpt85 -52.04 -39.05 58.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.906 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.5 mmt -101.59 -32.02 10.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 72.11 110.886 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 73.02 110.899 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.844 0.354 . . . . 75.5 110.88 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -144.47 149.2 35.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 74.53 110.88 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.5 t -72.15 116.73 51.79 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.619 0.723 . . . . 74.42 110.941 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.83 -5.71 16.91 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.628 2.219 . . . . 74.22 112.313 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -95.54 -44.74 7.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.843 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.2 m -107.89 -56.65 2.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 75.25 110.926 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.39 30.94 1.33 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.689 -0.767 . . . . 73.12 112.481 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 tp -96.98 129.31 44.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.773 0.32 . . . . 71.41 110.905 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -81.16 146.51 30.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 71.54 110.945 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -175.24 179.94 1.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 60.32 111.148 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mt -130.09 2.76 4.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 71.42 110.917 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.96 -0.62 40.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 71.0 110.912 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 63.34 10.6 4.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 73.41 110.882 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.3 mm -143.94 144.61 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 74.34 111.136 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.6 t -88.5 111.6 44.81 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.573 0.701 . . . . 72.43 110.913 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -6.54 18.83 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.706 2.27 . . . . 60.32 112.338 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.69 -61.84 1.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 74.43 110.86 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.0 p -99.74 -36.45 9.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 61.43 110.824 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.99 28.03 5.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.786 -0.721 . . . . 73.3 112.452 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -109.59 137.7 47.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.905 0.383 . . . . 74.04 110.947 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -50.5 142.48 10.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.868 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 p -91.4 158.78 16.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 74.43 111.167 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.1 m -135.8 154.34 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 73.34 111.172 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.5 mm -63.56 112.9 8.09 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.595 0.712 . . . . 62.42 111.165 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.221 0 C-N-CA 122.724 2.283 . . . . 52.45 112.312 179.899 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.6 m95 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.837 0.351 . . . . 75.15 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.94 -84.45 0.3 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.795 -0.717 . . . . 54.44 112.43 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -31.37 47.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.808 0.337 . . . . 74.54 110.874 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -60.45 -27.07 67.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 61.4 110.825 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 -52.25 -32.86 38.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 73.51 110.893 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.0 mtt-85 -59.47 -34.04 72.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 74.55 110.905 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.4 mtm -103.95 25.83 9.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 63.35 110.842 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.3 tt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 75.43 110.956 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.856 0.36 . . . . 73.15 110.932 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -145.81 149.24 33.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 72.13 110.931 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.9 t -72.36 116.71 52.01 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.613 0.72 . . . . 63.15 110.857 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -6.25 18.13 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.705 2.27 . . . . 53.12 112.366 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.45 -43.93 7.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 70.02 110.879 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.9 m -108.36 -57.0 2.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 73.43 110.967 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.5 30.66 1.37 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 63.54 112.531 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.6 tp -96.47 129.74 43.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 74.2 110.892 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -81.51 146.21 30.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 75.12 110.877 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -175.37 -179.96 1.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 75.14 111.15 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mt -130.45 3.26 4.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 74.14 110.929 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -0.05 39.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 74.42 110.869 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 63.05 10.7 4.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 63.42 110.863 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.1 mm -143.96 144.99 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 74.13 111.143 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.2 t -89.44 111.3 44.79 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.645 0.735 . . . . 74.25 110.854 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 -6.91 19.67 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.756 2.304 . . . . 74.43 112.377 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.78 -61.39 1.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 72.23 110.883 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.7 p -100.37 -35.97 9.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 73.05 110.906 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.58 28.57 5.06 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.808 -0.711 . . . . 73.32 112.543 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -110.79 138.01 47.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.959 0.409 . . . . 74.05 110.889 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -49.95 144.41 6.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 72.12 110.907 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 p -93.42 159.82 15.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 62.34 111.176 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.1 m -136.69 154.28 31.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 73.12 111.151 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.2 mm -64.19 112.86 8.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.636 0.731 . . . . 75.34 111.112 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo . . . . . 0 C--N 1.342 0.186 0 C-N-CA 122.639 2.226 . . . . 74.44 112.338 179.89 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.866 0.365 . . . . 74.21 110.989 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.23 -85.35 0.24 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.792 -0.718 . . . . 74.13 112.504 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.2 ptmm? -51.69 -30.18 21.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.792 0.33 . . . . 73.44 110.873 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -54.61 -27.13 37.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.424 . . . . 74.01 110.856 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.3 ppt_? -52.03 -32.92 36.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 71.13 110.816 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -57.18 -33.94 67.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 75.2 110.822 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -100.6 24.42 9.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 74.31 110.902 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 75.35 110.935 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.96 0.41 . . . . 73.45 110.851 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -134.44 148.46 50.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 74.42 110.915 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.1 t -72.28 116.95 54.26 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.687 0.756 . . . . 74.01 110.861 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.82 -5.73 16.94 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.729 2.286 . . . . 64.31 112.267 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -96.69 -43.02 7.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 71.34 111.008 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.0 m -108.18 -57.24 2.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 64.15 110.813 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.44 26.22 2.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 73.55 112.467 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 tp -92.88 132.41 37.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.799 0.333 . . . . 75.41 110.983 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -84.86 147.66 26.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 73.31 110.914 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.2 t -175.19 174.63 2.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 75.14 111.135 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mt -121.53 1.09 10.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 74.15 110.944 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -79.83 -1.82 40.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 74.21 110.881 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 63.56 9.98 4.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 72.52 110.898 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.4 mm -144.02 143.55 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 62.42 111.202 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.5 t -84.17 112.38 40.73 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.568 0.699 . . . . 73.33 110.884 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.86 -6.51 18.81 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.623 2.216 . . . . 61.02 112.333 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.56 -60.18 2.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 63.11 110.869 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.0 p -103.12 -37.71 7.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 75.32 110.914 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.19 29.18 4.64 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.783 -0.722 . . . . 61.05 112.456 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -105.27 137.4 43.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 74.12 110.885 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.79 134.35 30.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.46 . . . . 74.22 110.915 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.7 p -87.77 159.12 18.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 72.23 111.118 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.4 m -134.6 153.26 34.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 70.44 111.097 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.1 mm -61.68 112.46 6.14 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.628 0.728 . . . . 71.22 111.134 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.633 2.222 . . . . 74.44 112.304 179.931 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 10.2 m-90 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.754 0.311 . . . . 75.43 110.879 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.57 -84.88 0.27 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.68 -0.771 . . . . 52.42 112.521 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.3 ptmm? -51.71 -32.34 29.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 71.3 110.847 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -73.96 -36.49 64.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 73.13 110.925 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -63.32 -32.24 73.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 64.13 110.841 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -60.42 -30.76 69.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 73.35 110.852 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 29.7 mmt -98.43 -29.6 13.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 73.33 110.818 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 64.24 110.858 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.919 0.39 . . . . 73.44 110.859 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -143.7 148.58 35.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 72.11 110.854 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 44.6 t -72.28 117.12 55.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.566 0.698 . . . . 71.13 110.882 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -5.89 17.26 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.676 2.251 . . . . 62.35 112.311 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.88 -41.94 8.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 74.51 110.932 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.3 m -111.4 -56.96 2.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 73.34 110.889 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.95 28.78 1.63 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.791 -0.719 . . . . 71.12 112.522 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.0 tp -94.06 131.27 39.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 74.12 110.897 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -81.52 146.17 30.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 74.34 110.931 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.3 t -175.37 176.28 2.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 75.34 111.167 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 mt -127.09 3.5 6.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 70.54 110.891 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.8 mtmt -82.5 0.54 42.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 75.41 110.867 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 62.07 11.71 4.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 73.31 110.975 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.3 mm -144.43 144.18 22.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.091 -0.504 . . . . 74.01 111.132 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.6 t -88.72 111.41 44.09 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.659 0.743 . . . . 72.32 110.86 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -6.67 19.19 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.664 2.243 . . . . 75.21 112.278 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 -60.9 2.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 73.43 110.89 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.9 p -101.83 -36.21 8.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 62.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.58 27.57 5.17 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.781 -0.723 . . . . 73.31 112.514 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -108.03 135.7 48.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.917 0.389 . . . . 75.23 110.882 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.52 140.09 14.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 73.31 110.95 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 p -89.48 158.35 17.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 75.44 111.132 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.1 m -135.75 153.63 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 74.54 111.154 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.0 mm -62.96 112.54 6.96 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.588 0.709 . . . . 72.14 111.115 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.165 0 C-N-CA 122.708 2.272 . . . . 65.23 112.343 179.877 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.1 m0 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.79 0.329 . . . . 75.54 110.857 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.81 -31.8 79.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.781 -0.724 . . . . 72.23 112.502 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -87.75 -30.37 20.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.784 0.326 . . . . 72.44 110.87 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -52.85 -29.16 26.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 72.31 110.918 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.1 ttp85 -52.5 -34.42 49.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 73.45 110.876 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -62.22 -34.22 76.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 75.22 110.917 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.9 mmt -101.8 25.43 8.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.856 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.1 tp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 73.52 110.908 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.828 0.347 . . . . 73.52 110.874 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -144.26 148.34 34.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 72.45 110.94 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.6 t -72.53 116.75 52.75 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.657 0.741 . . . . 75.14 110.855 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -5.77 17.03 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.71 2.273 . . . . 74.34 112.341 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -95.96 -43.74 7.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 75.41 110.852 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.7 m -108.62 -57.18 2.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.901 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.61 24.91 2.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.821 -0.704 . . . . 64.33 112.474 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.7 tp -89.88 132.48 35.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 70.12 110.875 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -85.02 144.54 28.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 75.1 110.897 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.4 t -175.36 173.32 2.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 72.34 111.111 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 mt -124.16 9.7 8.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 75.45 110.868 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -86.73 -0.23 55.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 72.51 110.923 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 62.75 11.05 4.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 75.1 110.834 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.9 mm -144.28 144.3 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 73.21 111.092 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.5 t -89.72 111.05 43.83 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.594 0.711 . . . . 73.52 110.918 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.69 -7.03 20.0 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.727 2.285 . . . . 71.13 112.386 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.28 -61.43 1.9 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 73.1 110.851 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.1 p -100.38 -35.85 9.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 51.34 110.906 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.37 29.12 4.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 61.45 112.496 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -111.21 138.29 47.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.914 0.388 . . . . 74.4 110.936 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -50.92 142.34 11.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 74.24 110.956 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -91.89 158.72 16.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 75.33 111.096 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.5 m -134.64 154.91 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 74.55 111.136 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.6 mm -64.31 113.03 8.99 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.635 0.731 . . . . 65.44 111.097 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.464 -0.213 0 C-N-CA 122.654 2.236 . . . . 74.41 112.357 179.879 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.7 m0 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.796 0.332 . . . . 70.42 110.928 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.07 -30.86 74.72 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.737 -0.744 . . . . 55.43 112.552 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -83.94 -28.9 27.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.761 0.315 . . . . 74.11 110.867 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -60.01 -24.92 64.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 72.05 110.965 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.36 -67.78 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 75.03 110.837 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.84 -22.95 59.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 74.24 110.878 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.1 mmt -95.81 25.39 4.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 73.32 110.941 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 tt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 75.32 110.968 -179.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.817 0.341 . . . . 74.53 110.911 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -143.79 149.3 36.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 75.11 110.912 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.7 t -72.46 117.37 58.37 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.564 0.697 . . . . 65.43 110.927 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 -5.42 16.18 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.633 2.222 . . . . 72.53 112.372 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -96.71 -42.8 7.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 73.44 110.89 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.5 m -110.08 -56.74 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 74.42 110.916 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.72 31.51 1.33 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.707 -0.758 . . . . 71.14 112.423 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.4 tp -96.42 130.39 43.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.873 0.368 . . . . 65.15 110.954 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -81.21 145.99 30.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 70.11 110.897 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -176.05 -178.93 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.059 -0.518 . . . . 72.15 111.138 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.7 mt -132.01 3.53 4.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 75.44 110.914 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -80.94 -0.45 39.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 75.22 110.915 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 63.17 10.5 4.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 74.52 110.891 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.2 mm -143.91 144.02 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 75.52 111.122 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.9 t -88.33 111.79 45.67 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.595 0.712 . . . . 72.11 110.883 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -7.04 20.01 Favored 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.702 2.268 . . . . 71.43 112.399 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -82.58 -61.71 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 74.12 110.879 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.5 p -100.56 -36.56 9.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.26 -0.427 . . . . 73.44 110.879 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.85 27.68 5.06 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.741 -0.742 . . . . 71.11 112.503 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -108.79 138.37 45.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.89 0.376 . . . . 75.51 110.899 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -51.5 141.7 15.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 72.31 110.913 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 p -90.29 159.92 16.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 74.22 111.167 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.3 m -137.02 153.59 29.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 72.34 111.145 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.0 mm -64.1 113.01 8.75 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.567 0.698 . . . . 72.13 111.181 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.153 0 C-N-CA 122.652 2.234 . . . . 74.55 112.338 179.911 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 15.9 m95 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.728 0.299 . . . . 75.51 110.851 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.41 -28.81 29.25 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.679 -0.772 . . . . 62.15 112.464 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -85.17 -27.8 25.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.341 . . . . 73.54 110.922 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -53.59 -28.4 31.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 72.41 110.927 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -52.28 -32.81 39.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 75.24 110.822 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 43.5 mtm-85 -55.15 -33.54 63.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 75.45 110.909 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -76.43 -31.58 57.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 63.52 110.87 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.421 . . . . 73.23 110.928 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.859 0.362 . . . . 73.54 110.93 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -139.61 147.73 41.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 73.42 110.875 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.0 t -71.76 117.2 55.56 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.59 0.71 . . . . 43.14 110.884 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -5.38 16.08 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.681 2.254 . . . . 73.43 112.366 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -97.23 -43.15 7.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 63.41 110.912 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.2 m -108.26 -57.22 2.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 63.42 110.918 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.98 24.79 2.42 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 44.4 112.489 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.7 tp -91.76 132.29 36.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 74.41 110.979 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -84.35 147.85 26.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 72.5 110.886 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.3 t -175.13 175.4 2.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.039 -0.528 . . . . 72.42 111.13 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 mt -123.8 3.64 8.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 75.1 110.893 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -82.67 -2.31 53.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 74.54 110.904 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 62.3 11.38 4.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 74.42 110.83 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.6 mm -145.07 133.64 17.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 73.22 111.118 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.9 t -74.34 114.56 34.74 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.583 0.706 . . . . 72.03 110.881 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 -7.08 20.15 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.637 2.225 . . . . 75.03 112.356 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -85.27 -60.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 75.13 110.861 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.8 p -104.16 -39.94 6.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 71.51 110.833 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.57 -26.05 5.8 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.777 -0.725 . . . . 34.52 112.472 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -49.95 137.5 16.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.876 0.37 . . . . 75.11 110.894 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -60.26 145.12 48.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 65.2 110.866 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -91.31 147.7 22.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 74.23 111.147 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.7 m -126.65 147.76 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 73.53 111.087 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.4 mm -60.92 112.19 5.32 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 64.24 111.136 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.169 0 C-N-CA 122.721 2.281 . . . . 73.11 112.319 179.915 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.7 m0 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.747 0.308 . . . . 72.34 110.916 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.37 -30.85 49.97 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.688 -0.767 . . . . 64.33 112.572 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -80.42 -28.56 37.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.744 0.307 . . . . 74.45 110.871 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -57.22 -24.25 53.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.268 -0.424 . . . . 64.44 110.874 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -52.02 -68.73 0.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.8 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.6 ptp85 -53.49 -41.62 66.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 74.2 110.908 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.4 mmt -57.4 -23.8 51.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 75.14 110.861 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.4 tt . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.956 0.408 . . . . 72.21 110.935 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.839 0.352 . . . . 75.13 110.866 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -138.23 148.86 45.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 72.32 110.906 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.8 t -72.1 116.58 50.11 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.608 0.718 . . . . 73.41 110.865 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -5.24 15.72 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.681 2.254 . . . . 74.25 112.328 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -96.59 -44.67 7.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 73.43 110.883 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.3 m -107.29 -56.74 2.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.252 -0.431 . . . . 73.1 110.904 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.36 27.13 2.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.699 -0.762 . . . . 65.31 112.508 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.8 tp -92.33 132.77 36.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.836 0.35 . . . . 73.21 110.919 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -83.87 145.65 28.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 74.43 110.938 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.1 t -175.23 176.52 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.5 . . . . 74.23 111.176 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 mt -126.33 3.42 7.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 74.25 110.898 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -81.13 -2.12 47.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 71.31 110.876 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 62.42 11.11 4.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 74.43 110.892 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.6 mm -145.15 133.47 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 73.14 111.184 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.7 t -74.52 114.84 37.85 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.643 0.735 . . . . 74.32 110.83 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -6.96 19.82 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.649 2.233 . . . . 73.32 112.364 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.03 -60.32 2.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 75.32 110.905 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.2 p -104.82 -39.93 6.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 63.21 110.911 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.08 -26.76 5.78 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.794 -0.717 . . . . 74.12 112.469 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -49.14 133.65 18.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.943 0.401 . . . . 75.53 110.916 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.12 145.37 31.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 74.44 110.874 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -91.75 150.2 21.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 53.33 111.05 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.9 m -129.16 149.72 33.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 72.22 111.081 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.4 mm -61.25 112.17 5.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.594 0.712 . . . . 73.33 111.066 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.17 0 C-N-CA 122.657 2.238 . . . . 71.45 112.377 179.852 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 7.6 m95 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.794 0.331 . . . . 75.52 110.839 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.52 -84.79 0.26 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.786 -0.721 . . . . 70.53 112.488 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.8 pttt -52.34 -29.82 25.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.351 . . . . 74.3 110.904 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -57.34 -28.22 62.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 73.44 110.922 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -52.03 -42.81 63.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 74.31 110.871 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -67.11 -42.59 84.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 74.22 110.874 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -23.3 67.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 74.04 110.861 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.8 tt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 75.12 110.929 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.847 0.356 . . . . 73.04 110.872 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -136.88 145.59 44.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 74.13 110.912 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 45.8 t -72.12 116.7 51.34 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-O 121.618 0.723 . . . . 74.52 110.875 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -5.41 16.13 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.765 2.31 . . . . 73.45 112.284 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -96.58 -41.93 8.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 71.33 110.92 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.2 m -111.61 -57.07 2.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 74.52 110.869 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.93 26.86 2.0 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 63.4 112.41 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.3 tp -91.58 134.97 34.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 73.34 110.901 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -85.27 144.14 28.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 71.52 110.973 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.2 t -175.25 170.4 3.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 72.35 111.16 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mt -120.04 2.18 10.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 72.4 110.92 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -78.86 -3.17 43.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.93 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 63.9 9.64 4.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 63.13 110.808 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.9 mm -144.1 137.07 23.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 74.12 111.136 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.2 t -78.29 114.02 39.01 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.662 0.744 . . . . 72.04 110.879 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -6.74 19.3 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.727 2.284 . . . . 74.21 112.361 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.23 -60.31 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 75.02 110.975 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.7 p -103.37 -39.38 6.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 64.15 110.893 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.1 -25.94 6.25 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 73.31 112.547 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -51.34 142.72 12.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.953 0.406 . . . . 74.43 110.855 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -65.61 144.46 56.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 75.11 110.88 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 p -87.48 151.31 23.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.277 -0.42 . . . . 74.32 111.133 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 m -131.18 159.91 42.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 71.04 111.146 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.9 mm -62.96 113.12 8.24 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.664 0.745 . . . . 73.33 111.165 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.233 0.248 0 C-N-CA 122.631 2.22 . . . . 74.53 112.332 179.904 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 5.9 m95 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.828 0.347 . . . . 73.54 110.968 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.34 -85.28 0.25 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 73.55 112.509 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -51.87 -30.21 22.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.776 0.322 . . . . 74.35 110.867 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -52.63 -35.2 54.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 71.52 110.898 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.24 -44.51 92.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 65.34 110.859 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -38.99 70.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 74.23 110.826 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.1 tpt -111.52 35.54 3.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 73.01 110.936 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 62.03 110.945 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.901 0.381 . . . . 73.35 110.864 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -147.39 148.41 31.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 72.34 110.922 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.8 t -72.57 118.31 66.66 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.663 0.744 . . . . 70.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -5.65 16.77 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.629 2.219 . . . . 72.11 112.361 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.42 -46.9 5.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.842 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.2 m -102.98 -56.38 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 70.01 110.864 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 117.01 30.03 2.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 75.33 112.49 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 tp -95.66 131.7 41.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.836 0.351 . . . . 73.34 110.892 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -81.61 149.81 28.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 64.21 110.941 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -175.92 -179.3 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 74.14 111.157 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mt -131.92 3.32 4.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 73.44 111.005 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -84.51 2.37 41.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 75.43 110.846 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 60.67 13.36 4.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 74.23 110.842 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.0 mm -143.74 145.72 21.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 74.4 111.117 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.2 t -90.34 113.43 57.45 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 75.22 110.871 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -8.25 23.12 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.697 2.265 . . . . 73.43 112.364 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -80.84 -60.41 2.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 73.24 110.895 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.5 p -100.96 -40.89 7.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 73.53 110.938 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.43 52.12 0.78 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.67 -0.776 . . . . 74.44 112.417 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.53 151.05 52.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.903 0.382 . . . . 75.42 110.837 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 ttpp -60.25 122.08 13.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 74.43 110.915 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 p -73.82 164.33 26.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 74.31 111.131 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.4 m -136.08 154.95 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 72.51 111.179 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.9 mm -65.94 113.27 11.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.586 0.708 . . . . 70.52 111.131 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.18 0 C-N-CA 122.659 2.239 . . . . 74.21 112.402 179.849 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 19.7 m95 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.829 0.347 . . . . 75.25 110.94 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.98 -30.8 38.39 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.758 -0.734 . . . . 72.43 112.421 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -87.54 -25.18 23.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.791 0.329 . . . . 72.02 110.893 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -53.87 -27.93 33.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 72.05 110.953 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 60.4 ttt-85 -58.67 -36.29 73.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 62.5 110.921 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -62.7 -33.05 74.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 74.53 110.872 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.7 mmt -84.35 -24.53 29.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 72.12 110.92 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.4 tt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 70.13 110.908 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.852 0.358 . . . . 75.13 110.918 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.1 ttpt -140.01 149.58 43.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 73.4 110.859 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.4 t -72.46 116.48 49.84 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 54.21 110.855 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -5.59 16.58 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.657 2.238 . . . . 54.1 112.339 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.21 -45.43 7.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 65.22 110.872 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.3 m -107.73 -56.33 2.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 70.3 110.882 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.63 29.17 1.61 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.76 -0.733 . . . . 70.12 112.493 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 tp -93.77 132.09 38.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.363 . . . . 73.14 110.94 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -83.4 144.57 29.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 75.43 110.914 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -175.36 179.58 1.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 65.34 111.166 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.8 mt -129.86 3.2 4.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 74.43 110.94 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -79.02 -3.26 44.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 73.42 110.931 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 64.39 8.96 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 75.43 110.884 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.9 mm -144.95 133.95 17.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 71.35 111.163 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.1 t -75.21 114.3 34.03 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.684 0.754 . . . . 75.15 110.846 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.75 -6.52 18.79 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.707 2.272 . . . . 54.44 112.292 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.64 -60.82 1.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 74.23 110.916 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.9 p -102.55 -38.83 7.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 63.35 110.906 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.42 -26.8 6.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.757 . . . . 73.3 112.509 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -50.83 142.8 10.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.967 0.413 . . . . 73.2 110.929 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.8 mtmm -64.5 145.07 56.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.887 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.32 155.21 19.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 72.41 111.102 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.5 m -133.02 150.75 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 75.25 111.178 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.2 mm -62.95 112.58 7.04 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.564 0.697 . . . . 73.0 111.097 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.183 0 C-N-CA 122.674 2.25 . . . . 64.31 112.381 179.865 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 8.2 m95 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.799 0.333 . . . . 72.22 110.892 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.47 -85.54 0.26 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.687 -0.768 . . . . 62.44 112.529 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -52.11 -29.8 23.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.782 0.325 . . . . 71.44 110.947 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -56.92 -29.53 63.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 75.32 110.893 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -51.91 -31.8 30.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.917 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.3 ttm-85 -51.51 -68.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 75.12 110.899 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -54.03 -27.58 32.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 75.44 110.908 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.235 -0.439 . . . . 75.13 110.951 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.86 0.362 . . . . 73.23 110.902 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -144.88 149.2 34.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 74.52 110.882 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.9 t -72.39 116.59 50.8 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.635 0.731 . . . . 73.41 110.933 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -6.02 17.63 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.708 2.272 . . . . 75.22 112.295 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -95.47 -44.58 7.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 74.24 110.915 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.0 m -107.89 -57.01 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 73.43 110.857 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.16 28.23 1.7 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 32.23 112.407 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.8 tp -92.69 131.19 37.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.806 0.336 . . . . 73.34 110.919 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -83.73 144.39 29.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 75.42 110.901 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.3 t -175.27 -179.56 1.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.069 -0.514 . . . . 63.23 111.116 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 mt -131.04 4.06 4.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 61.41 110.92 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt -80.52 -0.47 37.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 75.2 110.919 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 63.57 10.22 4.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 61.54 110.835 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.1 mm -143.96 145.2 22.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 74.42 111.12 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.6 t -90.31 111.17 45.61 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.648 0.737 . . . . 61.24 110.923 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -6.71 19.22 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 74.23 112.393 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.76 -60.21 2.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 74.33 110.892 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.7 p -101.92 -36.15 8.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 73.14 110.918 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.09 28.4 4.97 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.708 -0.758 . . . . 51.01 112.482 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -110.3 137.67 47.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.015 0.436 . . . . 74.44 110.852 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.8 mttm -50.62 142.17 11.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 74.53 110.879 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 p -90.68 159.11 16.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 74.54 111.134 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.2 m -136.46 153.79 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 72.14 111.099 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.4 mm -63.63 113.07 8.6 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.697 0.761 . . . . 73.13 111.081 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.243 . . . . 72.21 112.336 179.864 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.725 0.298 . . . . 72.33 110.855 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.9 -30.85 54.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.681 -0.771 . . . . 72.41 112.489 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -64.95 -19.17 65.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.741 0.305 . . . . 74.45 110.885 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -53.23 -33.29 52.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 75.13 110.953 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -56.07 -24.8 42.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 75.42 110.862 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -87.17 -41.47 13.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 73.24 110.876 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.1 mmt -101.46 35.1 2.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 73.03 110.927 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 74.22 110.934 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.901 0.381 . . . . 73.45 110.876 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -145.92 148.85 33.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 72.2 110.957 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.3 t -72.19 116.78 52.37 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.564 0.697 . . . . 71.42 110.904 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -6.0 17.53 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.789 2.326 . . . . 74.13 112.318 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.89 -45.16 7.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 74.14 110.862 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.6 m -106.59 -56.59 2.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 73.1 110.876 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.77 29.58 1.67 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.713 -0.756 . . . . 65.23 112.513 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.5 tp -95.76 131.17 42.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.795 0.331 . . . . 70.14 111.004 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -82.88 146.22 29.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 75.01 110.9 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -174.48 -179.37 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 44.21 111.186 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.0 mt -129.98 2.68 4.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 74.34 110.894 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -80.14 -1.5 40.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 75.24 110.818 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 65.05 7.99 4.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 74.13 110.925 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.4 mm -144.13 143.37 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.33 111.19 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.7 t -82.9 112.8 40.87 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.646 0.736 . . . . 75.33 110.898 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -5.32 15.95 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.713 2.275 . . . . 72.45 112.362 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.74 -61.44 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 70.02 110.914 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.5 p -99.8 -36.66 9.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 71.15 110.908 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.99 30.37 5.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 54.52 112.489 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -108.29 139.47 42.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.003 0.43 . . . . 74.21 110.856 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.62 137.03 20.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 74.3 110.965 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 p -90.68 161.36 15.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 61.31 111.092 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.6 m -138.94 154.3 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 75.05 111.138 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.0 mm -63.5 112.8 7.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.649 0.738 . . . . 74.2 111.177 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.159 0 C-N-CA 122.705 2.27 . . . . 74.1 112.285 179.945 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 21.2 m95 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.807 0.337 . . . . 74.32 110.923 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.03 -30.39 30.43 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.825 -0.702 . . . . 73.52 112.456 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.8 mtmt -88.06 -29.49 20.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 72.33 110.924 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -52.42 -31.22 33.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 71.23 110.933 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -57.89 -65.75 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 74.12 110.934 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -55.01 -39.22 68.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 75.13 110.841 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.1 mmt -62.79 -25.23 68.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 73.45 110.783 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.4 tt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.437 . . . . 72.34 110.907 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.752 0.31 . . . . 74.42 110.907 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -143.47 149.27 37.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.277 -0.419 . . . . 75.11 110.86 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 47.6 t -72.02 117.15 55.59 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.623 0.725 . . . . 74.52 110.912 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -5.78 17.02 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.72 2.28 . . . . 73.14 112.322 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.65 -44.84 7.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 73.2 110.882 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.0 m -108.43 -56.07 2.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 74.13 110.949 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.89 34.73 1.02 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 55.12 112.495 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.5 tp -98.36 129.52 45.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 74.22 110.91 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -81.88 144.89 30.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 75.03 110.929 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -176.02 -179.77 1.19 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.479 . . . . 72.32 111.16 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mt -128.55 0.49 5.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 72.5 110.924 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -77.42 -3.3 39.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 71.13 110.891 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 64.92 8.32 4.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.243 -0.435 . . . . 74.41 110.888 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.0 mm -141.03 143.39 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 73.32 111.153 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.9 t -87.6 111.39 41.51 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.65 0.738 . . . . 72.21 110.888 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -6.67 19.12 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 74.33 112.337 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.79 -59.34 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.428 . . . . 75.54 110.886 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.5 p -104.2 -36.78 7.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 70.2 110.849 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.99 28.75 4.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.726 . . . . 75.01 112.526 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -107.98 139.61 42.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 70.44 110.924 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -52.08 139.76 22.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 72.13 110.964 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 p -91.14 154.88 19.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.25 -0.432 . . . . 71.11 111.134 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.4 m -132.85 154.27 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 74.13 111.212 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.7 mm -62.8 112.31 6.46 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.572 0.701 . . . . 73.4 111.148 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.341 0.151 0 C-N-CA 122.635 2.223 . . . . 63.11 112.367 179.878 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 23.0 m95 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.757 0.313 . . . . 74.42 110.937 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.28 -31.98 35.84 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.737 . . . . 74.22 112.539 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -88.04 -26.01 22.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 74.42 110.887 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -54.59 -27.07 36.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 54.4 110.951 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.1 tpp85 -52.14 -30.12 25.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.076 -0.511 . . . . 75.05 110.868 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.6 mtt-85 -56.76 -32.07 65.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 74.42 110.886 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.6 mmt -99.29 -30.82 12.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 74.11 110.925 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 74.3 110.899 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.826 0.346 . . . . 74.23 110.911 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -141.37 148.87 40.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 70.0 110.846 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 47.2 t -71.73 117.25 55.94 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.628 0.728 . . . . 73.33 110.85 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -5.91 17.33 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.67 2.247 . . . . 71.4 112.336 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.2 -42.8 8.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 73.12 110.888 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.7 m -109.8 -56.99 2.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 63.55 110.798 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.67 31.6 1.33 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.766 -0.731 . . . . 64.15 112.507 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 tp -97.26 130.92 44.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.793 0.33 . . . . 74.02 110.92 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -80.32 145.46 32.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 73.01 110.881 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.1 t -175.68 174.68 2.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 73.25 111.157 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 mt -125.31 2.77 7.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 72.14 110.844 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -80.38 -2.73 46.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 75.32 110.886 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 63.18 10.33 4.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 74.2 110.847 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.0 mm -144.79 134.1 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 73.41 111.08 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.2 t -74.86 114.63 36.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.562 0.696 . . . . 72.13 110.848 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -5.62 16.65 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.685 2.257 . . . . 75.32 112.337 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.59 -61.97 1.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 74.45 110.837 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.3 p -100.92 -37.79 8.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 70.25 110.87 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.46 -26.8 6.84 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.628 -0.796 . . . . 64.03 112.499 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -50.75 141.57 12.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.993 0.425 . . . . 61.54 110.813 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mtmt -63.51 143.92 57.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 75.12 110.868 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.24 158.16 19.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.283 -0.417 . . . . 73.43 111.106 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.0 m -136.42 155.22 33.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 74.11 111.186 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 24.1 mm -63.43 112.57 7.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 65.23 111.133 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.342 0.198 0 C-N-CA 122.669 2.246 . . . . 71.42 112.322 179.945 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.814 0.34 . . . . 74.12 110.94 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.8 -27.86 45.11 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.676 -0.773 . . . . 24.04 112.498 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -68.59 -31.24 70.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 75.31 110.904 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -57.99 -24.81 59.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 73.22 110.936 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -31.04 31.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 75.45 110.874 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.3 mtp85 -59.9 -33.02 71.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 74.53 110.876 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 29.3 mmt -91.91 -23.61 19.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 64.33 110.844 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.7 tp . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.234 -0.439 . . . . 73.23 110.844 -179.971 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.816 0.341 . . . . 65.33 110.935 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -146.2 147.18 31.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.314 -0.403 . . . . 75.12 110.934 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.5 t -72.25 116.29 47.54 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.581 0.705 . . . . 70.32 110.896 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -6.68 19.17 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.707 2.272 . . . . 71.13 112.361 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -94.43 -44.26 7.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 75.15 110.845 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.3 m -108.29 -56.41 2.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.918 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.57 20.8 3.13 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.685 -0.769 . . . . 75.11 112.436 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.0 tp -85.14 132.75 34.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.87 0.366 . . . . 74.13 110.916 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -85.86 144.06 27.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 73.31 110.967 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.4 t -175.16 179.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.32 111.115 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 mt -130.18 5.01 4.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 63.1 110.941 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.4 mtpt -80.62 -1.19 41.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.932 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 63.79 9.96 4.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 75.04 110.89 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.2 mm -144.58 144.25 22.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 64.33 111.112 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.9 t -88.29 111.48 43.62 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.599 0.714 . . . . 73.11 110.863 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -6.35 18.36 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 72.43 112.386 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.62 -62.46 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 64.34 110.889 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.3 p -98.07 -36.17 10.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 63.52 110.903 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.4 29.2 5.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 75.22 112.536 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -111.39 138.64 47.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.378 . . . . 75.11 110.913 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -49.83 143.53 7.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 72.52 110.914 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.53 156.97 16.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 75.44 111.111 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.3 m -131.8 147.35 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 74.34 111.133 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.1 mp -64.82 113.33 10.51 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.714 0.769 . . . . 75.34 111.153 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.68 2.254 . . . . 74.41 112.348 179.918 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 7.2 m0 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.804 0.335 . . . . 71.42 110.944 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.34 -29.34 68.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.779 -0.724 . . . . 74.25 112.429 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -84.64 -27.06 27.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.733 0.302 . . . . 75.33 110.905 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -69.7 -31.38 69.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.271 -0.422 . . . . 72.34 110.884 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.5 tpt85 -60.58 -35.95 77.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 74.22 110.855 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -30.32 71.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 73.25 110.908 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.1 tpt -82.56 -33.33 28.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 74.14 110.932 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.8 tt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 73.03 110.965 179.951 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.531 -0.228 . . . . 72.25 112.531 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 59.5 p -68.83 -50.37 50.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.355 . . . . 71.32 110.86 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 30.2 p80 -86.45 136.98 32.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 71.45 110.882 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 ptm -73.74 138.09 44.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 65.14 110.937 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.1 m -91.01 146.79 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 73.53 111.14 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -55.05 141.56 33.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 75.13 110.878 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.2 158.69 1.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 73.42 110.885 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.16 -176.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 72.22 110.846 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.4 ptm -52.22 159.37 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 73.44 110.839 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.84 178.3 4.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 75.24 110.908 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -135.76 145.89 47.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 73.23 110.895 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.2 t -72.38 117.64 60.6 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.57 0.7 . . . . 62.32 110.878 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -5.44 16.25 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.679 2.253 . . . . 75.01 112.321 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.49 -43.83 7.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 74.4 110.89 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.7 m -109.24 -56.8 2.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 75.13 110.9 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.07 25.06 2.34 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 60.5 112.503 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.8 tp -91.24 133.86 35.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.763 0.316 . . . . 71.35 110.922 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -87.47 146.7 25.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 74.3 110.901 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.2 t -175.6 166.8 3.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 74.52 111.137 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 mt -116.23 14.41 15.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 75.33 110.919 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -92.65 -0.34 57.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 75.54 110.91 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 62.53 11.04 4.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 75.11 110.928 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.8 mm -144.01 145.42 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 72.41 111.134 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.1 t -90.1 111.06 44.65 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.611 0.72 . . . . 75.12 110.918 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -6.81 19.5 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.676 2.251 . . . . 75.53 112.345 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.01 -60.23 2.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 75.33 110.877 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.2 p -102.67 -36.12 8.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 71.33 110.888 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.02 27.83 4.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 63.13 112.473 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -109.28 138.03 46.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.901 0.381 . . . . 63.3 110.865 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm -50.88 143.39 10.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 74.32 110.905 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -92.18 150.68 20.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 73.22 111.132 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.4 m -129.17 156.89 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 62.25 111.157 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 37.8 mm -63.4 113.22 8.91 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.654 0.74 . . . . 74.32 111.116 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -25.25 28.84 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.69 2.26 . . . . 74.5 112.377 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -113.92 75.64 2.97 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.565 0.698 . . . . 74.41 110.895 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 167.78 23.43 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.245 . . . . 74.03 112.385 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 126.5 13.37 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.742 2.295 . . . . 64.34 112.307 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -100.17 -33.84 10.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 72.54 110.896 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -112.44 110.5 20.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 72.3 110.885 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.6 m -112.1 118.55 35.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 63.53 110.859 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.7 mt -66.06 -40.51 90.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 74.23 110.907 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -125.02 -37.14 2.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 75.45 110.867 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.7 t0 63.43 30.84 15.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 72.42 110.893 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -54.28 -45.8 72.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 73.43 110.901 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -95.48 20.12 9.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 73.42 110.946 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.51 -87.42 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 73.11 112.47 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -52.97 -28.86 25.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 70.32 110.949 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -53.98 -28.27 36.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 75.43 110.957 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.8 ttt-85 -52.66 -32.29 41.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 74.35 110.836 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.1 mmm-85 -61.29 -32.86 72.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 74.14 110.896 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 6.4 ttm -115.52 25.54 10.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.2 110.892 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.8 tt -87.96 -27.85 21.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.919 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.68 125.32 19.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 72.33 110.889 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -143.31 169.78 17.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.44 110.888 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -106.94 105.73 15.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 71.32 111.082 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.2 tp -151.9 117.96 5.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 72.33 110.862 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.8 123.93 34.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 73.23 110.889 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -122.63 166.2 15.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 60.34 110.873 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -112.72 126.26 55.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 75.53 110.879 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -71.89 154.33 41.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 74.53 110.907 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -120.28 139.97 51.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 73.34 110.918 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.33 128.48 34.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 72.45 111.077 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.881 -179.926 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.462 -0.255 . . . . 71.23 112.462 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 9.2 p -137.34 125.21 22.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.933 0.397 . . . . 74.24 110.797 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -116.18 160.67 20.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.072 -0.513 . . . . 72.34 110.881 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 ptm -132.84 152.33 51.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 63.51 110.89 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.0 m -117.31 159.2 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 72.34 111.138 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -145.55 176.67 9.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 62.54 110.938 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 15.2 mmt -117.01 -29.91 5.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 55.42 110.89 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 ptt180 -60.56 -21.99 63.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 72.3 110.947 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.4 ptm -77.68 -171.2 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 74.14 110.841 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -132.51 178.3 6.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 71.44 110.936 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -145.54 148.78 33.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 70.31 110.885 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.0 t -72.53 116.47 49.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.647 0.737 . . . . 70.12 110.868 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -6.07 17.7 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.72 2.28 . . . . 74.01 112.368 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -95.09 -45.1 7.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 74.53 110.915 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.9 m -107.4 -56.75 2.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 73.02 110.876 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.96 26.62 2.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.787 -0.72 . . . . 74.23 112.432 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.9 tp -90.79 132.84 35.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 75.1 110.92 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -84.85 143.39 29.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 74.51 110.993 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.5 t -175.17 175.15 2.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 71.42 111.124 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 mt -126.54 7.67 6.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 71.12 110.965 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -83.88 -0.16 50.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 75.53 110.888 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 63.06 10.44 4.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 75.52 110.925 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.6 mm -144.1 144.9 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 64.5 111.143 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.5 t -89.98 111.02 44.18 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.553 0.692 . . . . 63.3 110.907 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -6.61 19.01 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.675 2.25 . . . . 72.32 112.353 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.84 -60.92 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 74.54 110.96 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.6 p -100.92 -35.87 9.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 73.14 110.933 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.44 28.49 5.13 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.76 -0.733 . . . . 63.44 112.506 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -110.49 138.01 47.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 73.32 110.903 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -50.52 142.76 10.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 72.53 110.938 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -91.91 159.46 15.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 72.33 111.136 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.4 m -136.03 154.79 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 70.31 111.191 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.5 mm -63.93 113.03 8.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.661 0.743 . . . . 74.31 111.083 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -171.66 0.5 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.714 2.276 . . . . 73.13 112.286 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.4 mtmm -114.87 76.07 4.11 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.54 0.686 . . . . 74.33 110.882 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 167.8 23.37 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.61 2.207 . . . . 74.24 112.331 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 126.47 13.35 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.763 2.309 . . . . 64.35 112.327 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -152.41 147.88 26.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 74.41 110.841 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -54.39 103.99 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 72.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 m -85.32 168.19 14.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 74.44 110.846 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.6 mt -70.09 -31.77 69.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 65.43 110.979 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -156.32 119.63 4.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 71.31 110.925 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -103.65 143.46 32.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 71.35 110.897 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -64.22 -64.84 0.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 70.01 110.898 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 32.7 m95 -98.73 -24.08 15.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 71.21 110.884 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.2 -87.2 0.19 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 72.35 112.476 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -51.88 -31.75 29.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.32 . . . . 72.44 110.893 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -77.57 -33.29 54.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 73.23 110.886 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.7 tpp85 -58.9 -31.05 68.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 71.05 110.915 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -57.03 -32.98 66.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 74.51 110.87 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.7 mtm -96.7 -29.26 13.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 70.22 110.851 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.99 -64.15 0.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 65.25 110.904 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -78.4 115.8 18.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 73.15 110.919 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -94.1 122.96 37.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.305 -0.407 . . . . 75.44 110.886 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.22 -36.11 11.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 74.11 111.13 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.66 133.7 51.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 74.45 110.933 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.6 tttt -168.19 153.44 6.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 73.23 110.977 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -104.13 169.26 8.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 71.14 110.927 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.29 112.5 25.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.856 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -64.93 122.84 17.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 72.45 110.945 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -113.64 128.4 56.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 75.51 110.896 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -161.76 162.05 29.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 64.12 111.034 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.18 -0.464 . . . . 74.31 110.897 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.451 -0.26 . . . . 63.22 112.451 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.1 p -92.37 -35.73 13.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 74.32 110.793 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 22.2 m80 56.72 40.64 29.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 73.42 110.891 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.6 ptm -90.38 160.18 16.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 73.03 110.887 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.9 p -98.74 144.03 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 73.43 111.128 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -113.45 105.61 13.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 74.53 110.898 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 18.1 mmm -145.79 156.13 43.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 74.34 110.842 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.77 133.21 55.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 72.12 110.896 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.3 ptm -174.1 -176.18 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 71.12 110.91 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.51 163.59 22.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 72.21 110.938 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -134.68 147.33 50.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 72.31 110.865 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.7 t -71.93 117.26 56.38 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.631 0.729 . . . . 65.23 110.873 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -5.84 17.15 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.644 2.229 . . . . 64.42 112.329 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.43 -43.26 7.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 73.23 110.865 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.7 m -107.99 -57.18 2.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 74.14 110.885 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.02 21.51 3.14 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.68 -0.771 . . . . 62.33 112.493 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.8 tp -87.53 133.65 33.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.764 0.316 . . . . 75.14 110.968 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -87.35 147.84 25.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.025 0.441 . . . . 72.34 110.919 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.7 t -175.16 175.68 2.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 72.13 111.149 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 mt -122.68 1.45 9.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 73.43 110.9 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -80.29 -1.1 39.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.904 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 63.22 10.29 4.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.412 . . . . 72.12 110.899 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.5 mm -143.06 145.73 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 74.53 111.072 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.8 t -88.71 111.34 43.6 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.609 0.719 . . . . 75.4 110.887 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -7.56 21.39 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 73.25 112.368 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.75 -60.54 2.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 73.44 110.855 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.1 p -103.08 -36.75 8.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.274 -0.421 . . . . 75.53 110.899 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.04 28.33 4.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.741 . . . . 73.21 112.501 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -107.87 136.52 47.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.96 0.409 . . . . 74.01 110.89 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -51.4 139.59 19.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.496 . . . . 74.41 110.867 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.6 p -91.24 156.76 17.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 54.24 111.197 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.1 m -130.8 153.24 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 61.01 111.177 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.8 mm -60.99 112.25 5.45 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.636 0.731 . . . . 73.44 111.13 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -171.76 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.735 2.29 . . . . 73.35 112.306 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -113.81 75.89 2.95 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 64.44 110.959 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 167.68 23.64 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.703 2.269 . . . . 64.33 112.359 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 178.63 4.39 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.702 2.268 . . . . 75.11 112.367 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -89.82 -29.31 18.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 74.11 110.892 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -53.23 110.66 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 74.21 110.837 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.0 t -154.12 155.51 35.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.052 -0.522 . . . . 74.32 110.821 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.97 -28.49 65.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 75.53 110.922 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -129.52 117.01 19.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 75.35 110.932 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -141.95 127.14 18.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 74.33 110.892 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -59.69 -33.74 71.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 75.35 110.953 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 14.7 m95 -95.05 20.22 9.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 75.13 110.931 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.11 -29.13 27.86 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 43.53 112.445 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -88.45 -25.67 22.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.728 0.299 . . . . 65.5 110.859 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -52.99 -28.83 25.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.94 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -52.4 -33.24 42.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 73.44 110.869 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -58.53 -31.78 68.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.275 -0.42 . . . . 73.33 110.885 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.2 tpt -97.71 -26.24 14.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 74.43 110.884 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.3 tt -52.09 -30.64 27.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 65.33 110.916 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.8 mttm -79.75 169.02 18.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 64.5 110.871 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.59 32.79 7.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 73.42 110.845 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -87.16 -26.05 23.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 63.41 111.107 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 tp -131.99 166.12 22.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 70.14 110.928 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -90.97 -179.31 5.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.893 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -59.86 112.38 1.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 72.13 110.879 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -100.27 142.69 31.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 74.41 110.909 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -61.34 128.98 38.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 75.41 110.935 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.8 mmtm -117.13 140.04 50.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 74.25 110.889 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.83 132.25 34.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 52.4 111.115 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 72.25 110.842 -179.913 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.521 -0.232 . . . . 74.02 112.521 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.2 m -120.83 28.59 7.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.856 0.36 . . . . 73.23 110.796 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 54.9 m170 -125.06 -43.15 1.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 74.23 110.826 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpp? -63.4 -27.93 69.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 74.04 110.868 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.8 m -93.27 179.94 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 73.33 111.136 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 60.04 28.98 18.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 74.23 110.854 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 12.9 mmm -56.6 -24.53 48.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 75.04 110.857 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -57.51 -24.3 55.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 73.32 110.901 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 7.4 ptm -73.2 -171.23 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 70.23 110.955 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.41 178.65 6.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 75.2 110.897 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -144.07 148.93 35.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 74.02 110.942 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.2 t -72.76 116.55 51.14 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.619 0.724 . . . . 74.44 110.903 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -6.08 17.7 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.714 2.276 . . . . 74.23 112.304 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -94.82 -46.0 7.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 74.2 110.913 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.4 m -106.52 -56.51 2.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 74.24 110.839 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.17 29.09 1.7 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 74.44 112.476 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.0 tp -94.17 133.21 37.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 74.02 110.909 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -84.48 144.42 28.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 72.13 110.924 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.9 t -174.71 175.04 2.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 73.23 111.145 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 mt -125.32 2.86 7.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 74.11 110.883 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -79.07 -1.44 35.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 74.31 110.881 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 65.31 7.99 4.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 74.05 110.861 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.3 mm -143.56 145.66 22.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 70.41 111.162 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.3 t -86.7 111.73 41.91 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.564 0.697 . . . . 74.32 110.921 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -6.1 17.79 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.653 2.236 . . . . 64.33 112.405 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.32 -61.63 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 74.24 110.929 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.5 p -99.95 -36.14 9.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 64.22 110.87 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.3 29.48 5.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 73.51 112.438 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -109.8 139.13 45.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.913 0.387 . . . . 74.31 110.85 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.79 140.52 14.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 74.34 110.897 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.37 158.63 15.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 64.4 111.172 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.8 m -135.93 160.25 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 71.35 111.164 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.9 mm -64.88 113.38 10.77 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.656 0.741 . . . . 75.35 111.072 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -10.13 27.77 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.719 2.279 . . . . 73.51 112.322 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -113.1 75.62 2.15 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.576 0.703 . . . . 73.52 110.927 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 167.68 23.65 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.764 2.309 . . . . 73.23 112.365 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -172.33 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.727 2.285 . . . . 65.01 112.326 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -73.89 174.45 8.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 75.21 110.903 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.1 t80 54.18 43.23 30.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 73.34 110.887 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.9 m -91.39 149.84 21.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.488 . . . . 54.34 110.916 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.4 tp -71.38 -27.27 63.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.888 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -56.62 -26.07 54.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 73.54 110.89 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -52.09 136.1 30.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 62.04 110.864 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -60.62 -67.41 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 75.23 110.865 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 25.0 m0 -93.56 -24.0 18.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.144 -0.48 . . . . 72.25 110.887 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.7 -89.19 0.15 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 73.41 112.533 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -51.8 -32.38 31.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.795 0.331 . . . . 74.23 110.896 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -84.39 -32.31 24.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 75.5 110.945 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -60.32 -26.53 66.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 75.5 110.873 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.7 tpt85 -52.04 -39.05 58.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.906 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.5 mmt -101.59 -32.02 10.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 72.11 110.886 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.64 -26.44 67.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 73.02 110.899 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.55 163.71 3.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 75.01 110.929 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -127.29 129.14 47.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 63.43 110.829 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -110.42 -30.6 7.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 74.24 111.155 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.88 121.52 9.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.869 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -114.44 128.79 56.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 72.53 110.891 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -73.54 166.37 23.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 73.44 110.862 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -57.98 174.58 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 74.52 110.882 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -68.72 120.06 14.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 62.32 110.806 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.81 111.29 23.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 75.14 110.887 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.68 -51.01 21.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 72.42 111.076 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 74.24 110.968 -179.885 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.478 -0.249 . . . . 62.23 112.478 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.5 m -64.76 130.61 44.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.905 0.383 . . . . 73.43 110.858 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -140.82 157.18 45.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 74.23 110.877 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 ptp -113.13 31.26 6.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 74.31 110.906 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 p -140.54 140.56 33.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.236 -0.438 . . . . 73.24 111.071 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.89 141.79 37.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 64.2 110.915 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 20.8 mtt -154.3 167.56 29.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 73.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -52.75 144.08 15.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 75.3 110.925 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.2 ptm -174.14 -169.02 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 73.15 110.926 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -129.52 175.11 9.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 75.5 110.88 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -144.47 149.2 35.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 74.53 110.88 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.5 t -72.15 116.73 51.79 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.619 0.723 . . . . 74.42 110.941 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.83 -5.71 16.91 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.628 2.219 . . . . 74.22 112.313 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -95.54 -44.74 7.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.843 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.2 m -107.89 -56.65 2.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 75.25 110.926 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.39 30.94 1.33 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.689 -0.767 . . . . 73.12 112.481 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 tp -96.98 129.31 44.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.773 0.32 . . . . 71.41 110.905 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -81.16 146.51 30.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 71.54 110.945 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -175.24 179.94 1.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 60.32 111.148 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mt -130.09 2.76 4.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 71.42 110.917 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.96 -0.62 40.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 71.0 110.912 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 63.34 10.6 4.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 73.41 110.882 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.3 mm -143.94 144.61 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 74.34 111.136 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.6 t -88.5 111.6 44.81 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.573 0.701 . . . . 72.43 110.913 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -6.54 18.83 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.706 2.27 . . . . 60.32 112.338 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.69 -61.84 1.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 74.43 110.86 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.0 p -99.74 -36.45 9.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 61.43 110.824 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.99 28.03 5.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.786 -0.721 . . . . 73.3 112.452 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -109.59 137.7 47.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.905 0.383 . . . . 74.04 110.947 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -50.5 142.48 10.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.868 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 p -91.4 158.78 16.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 74.43 111.167 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.1 m -135.8 154.34 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 73.34 111.172 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.5 mm -63.56 112.9 8.09 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.595 0.712 . . . . 62.42 111.165 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 110.1 2.47 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.724 2.283 . . . . 52.45 112.312 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.4 ttmt -115.92 75.88 5.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.52 0.676 . . . . 74.24 110.909 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 167.76 23.45 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.718 2.279 . . . . 74.13 112.289 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.8 178.24 4.8 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.723 2.282 . . . . 75.4 112.267 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -23.19 61.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 75.22 110.885 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -91.09 99.56 12.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 71.13 110.917 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 t -140.12 170.92 14.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 74.34 110.852 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.4 mp -87.25 -26.05 23.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 74.12 110.919 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -60.32 -34.38 73.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 74.05 110.952 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.55 127.72 52.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.081 -0.509 . . . . 73.24 110.866 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.3 mtt-85 -73.84 -53.9 9.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 74.1 110.833 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -84.9 -19.58 32.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 75.15 110.903 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.94 -84.45 0.3 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.795 -0.717 . . . . 54.44 112.43 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -31.37 47.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.808 0.337 . . . . 74.54 110.874 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -60.45 -27.07 67.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 61.4 110.825 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 -52.25 -32.86 38.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 73.51 110.893 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.0 mtt-85 -59.47 -34.04 72.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 74.55 110.905 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.4 mtm -103.95 25.83 9.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 63.35 110.842 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.3 tt -92.02 -29.07 16.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 75.43 110.956 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -13.22 61.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.858 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.1 mmt85 -121.96 122.43 39.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 73.13 110.849 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -110.12 -26.69 9.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 72.13 111.086 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 mp -74.5 124.76 27.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 74.12 110.922 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -78.21 108.62 11.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 73.42 110.889 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -66.56 144.47 56.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 61.23 110.901 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.56 26.14 9.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 65.44 110.88 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -121.56 -37.08 2.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 64.4 110.961 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp 58.38 42.29 21.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 75.31 110.914 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.93 -26.83 62.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 74.04 111.136 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 72.25 110.84 -179.871 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.552 -0.219 . . . . 74.14 112.552 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 84.1 p -144.7 161.42 39.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 73.34 110.888 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -64.13 -34.29 77.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 75.15 110.831 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 mtp -84.49 171.79 12.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 74.22 110.916 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.8 m -89.98 157.31 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 71.42 111.046 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -96.61 -28.54 14.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 74.15 110.886 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.9 ttt -96.33 143.2 27.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 73.51 110.913 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -174.53 145.66 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 71.04 110.851 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.0 ptm -174.36 -169.36 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 74.02 110.901 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -128.33 176.88 7.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 73.15 110.932 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -145.81 149.24 33.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 72.13 110.931 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.9 t -72.36 116.71 52.01 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.613 0.72 . . . . 63.15 110.857 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -6.25 18.13 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.705 2.27 . . . . 53.12 112.366 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.45 -43.93 7.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 70.02 110.879 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.9 m -108.36 -57.0 2.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 73.43 110.967 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.5 30.66 1.37 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 63.54 112.531 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.6 tp -96.47 129.74 43.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 74.2 110.892 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -81.51 146.21 30.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 75.12 110.877 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -175.37 -179.96 1.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 75.14 111.15 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mt -130.45 3.26 4.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 74.14 110.929 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -0.05 39.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 74.42 110.869 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 63.05 10.7 4.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 63.42 110.863 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.1 mm -143.96 144.99 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 74.13 111.143 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.2 t -89.44 111.3 44.79 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.645 0.735 . . . . 74.25 110.854 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 -6.91 19.67 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.756 2.304 . . . . 74.43 112.377 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.78 -61.39 1.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 72.23 110.883 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.7 p -100.37 -35.97 9.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 73.05 110.906 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.58 28.57 5.06 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.808 -0.711 . . . . 73.32 112.543 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -110.79 138.01 47.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.959 0.409 . . . . 74.05 110.889 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -49.95 144.41 6.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 72.12 110.907 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 p -93.42 159.82 15.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 62.34 111.176 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.1 m -136.69 154.28 31.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 73.12 111.151 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.2 mm -64.19 112.86 8.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.636 0.731 . . . . 75.34 111.112 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.77 -47.49 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.639 2.226 . . . . 74.44 112.338 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.84 153.62 41.95 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.528 0.68 . . . . 53.32 110.908 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.85 167.72 23.73 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.684 2.256 . . . . 75.2 112.309 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -175.11 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.658 2.239 . . . . 74.15 112.325 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.03 -23.71 15.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 75.44 110.932 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -112.25 112.47 24.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.4 110.917 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.7 t -169.68 172.46 6.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 74.21 110.866 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.0 mt -82.84 -27.92 30.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 74.34 110.912 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -61.84 -23.1 66.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 73.31 110.904 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -51.84 161.39 0.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 60.34 110.871 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.9 tpm_? -51.98 -71.96 0.06 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.254 -0.43 . . . . 74.34 110.872 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -94.65 -24.03 17.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 74.21 110.989 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.23 -85.35 0.24 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.792 -0.718 . . . . 74.13 112.504 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.2 ptmm? -51.69 -30.18 21.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.792 0.33 . . . . 73.44 110.873 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -54.61 -27.13 37.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.424 . . . . 74.01 110.856 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.3 ppt_? -52.03 -32.92 36.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 71.13 110.816 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -57.18 -33.94 67.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 75.2 110.822 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -100.6 24.42 9.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 74.31 110.902 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tt -104.34 -28.03 11.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 75.35 110.935 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.6 172.73 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 74.31 110.872 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -113.75 140.71 48.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 74.42 110.878 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -133.74 126.25 30.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 72.25 111.08 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.32 127.87 30.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 73.15 110.913 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.19 107.18 4.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 71.23 110.963 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 61.78 38.07 15.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 73.01 110.909 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.58 -20.2 36.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 70.24 110.878 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -77.73 -26.2 49.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 74.45 110.863 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm 58.88 42.36 19.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 75.11 110.907 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.64 130.71 55.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 75.05 111.087 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 74.4 110.953 -179.96 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 N-CA-C 112.465 -0.254 . . . . 43.34 112.465 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 8.4 m 52.37 33.39 12.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.379 . . . . 75.41 110.864 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -68.42 169.41 10.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 74.15 110.88 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -120.26 114.22 21.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 74.14 110.902 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.1 t -105.94 130.71 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 73.04 111.134 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.67 125.13 25.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 72.44 110.882 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.5 ttm -155.31 141.91 18.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 71.01 110.905 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -59.6 135.06 57.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 75.44 110.88 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.5 ptm -174.3 -177.03 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 71.14 110.865 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.78 164.97 19.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 73.45 110.851 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -134.44 148.46 50.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 74.42 110.915 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.1 t -72.28 116.95 54.26 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.687 0.756 . . . . 74.01 110.861 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.82 -5.73 16.94 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.729 2.286 . . . . 64.31 112.267 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -96.69 -43.02 7.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 71.34 111.008 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.0 m -108.18 -57.24 2.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 64.15 110.813 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.44 26.22 2.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 73.55 112.467 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 tp -92.88 132.41 37.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.799 0.333 . . . . 75.41 110.983 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -84.86 147.66 26.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 73.31 110.914 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.2 t -175.19 174.63 2.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 75.14 111.135 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mt -121.53 1.09 10.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 74.15 110.944 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -79.83 -1.82 40.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 74.21 110.881 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 63.56 9.98 4.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 72.52 110.898 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.4 mm -144.02 143.55 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 62.42 111.202 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.5 t -84.17 112.38 40.73 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.568 0.699 . . . . 73.33 110.884 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.86 -6.51 18.81 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.623 2.216 . . . . 61.02 112.333 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.56 -60.18 2.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 63.11 110.869 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.0 p -103.12 -37.71 7.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 75.32 110.914 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.19 29.18 4.64 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.783 -0.722 . . . . 61.05 112.456 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -105.27 137.4 43.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 74.12 110.885 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.79 134.35 30.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.46 . . . . 74.22 110.915 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.7 p -87.77 159.12 18.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 72.23 111.118 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.4 m -134.6 153.26 34.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 70.44 111.097 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.1 mm -61.68 112.46 6.14 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.628 0.728 . . . . 71.22 111.134 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.83 114.62 3.78 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.633 2.222 . . . . 74.44 112.304 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.6 mttt -112.93 75.49 1.98 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.554 0.693 . . . . 73.21 110.932 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 167.74 23.57 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.687 2.258 . . . . 74.43 112.362 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -41.2 4.52 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.61 2.207 . . . . 74.13 112.409 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.3 tptt 51.88 88.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 74.21 110.913 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -129.89 23.12 5.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 74.33 110.838 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 m -71.56 174.96 5.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 75.55 110.876 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.9 mt -55.22 -27.6 47.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.481 . . . . 73.34 110.947 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -52.76 -32.84 45.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 72.12 110.919 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -99.58 120.17 39.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 74.34 110.853 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 45.0 mtt85 -61.27 -70.35 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 73.51 110.924 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 10.2 m-90 -97.28 -24.02 15.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 75.43 110.879 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.57 -84.88 0.27 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.68 -0.771 . . . . 52.42 112.521 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.3 ptmm? -51.71 -32.34 29.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 71.3 110.847 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -73.96 -36.49 64.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 73.13 110.925 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -63.32 -32.24 73.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 64.13 110.841 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -60.42 -30.76 69.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 73.35 110.852 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 29.7 mmt -98.43 -29.6 13.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 73.33 110.818 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.61 -31.27 56.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 64.24 110.858 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.78 164.01 13.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.169 -0.469 . . . . 74.24 110.909 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 68.5 mtt180 -56.67 168.14 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 74.23 110.86 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -156.05 102.2 2.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 72.34 111.108 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 tp -138.61 136.66 36.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.445 . . . . 74.02 110.901 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -55.64 121.33 8.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 74.52 110.941 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -130.51 115.55 16.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 73.44 110.897 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.77 172.52 4.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.924 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -56.47 103.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 73.13 110.928 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.2 126.78 30.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 75.43 110.94 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -113.13 127.92 56.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 71.02 111.164 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 55.22 110.886 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 N-CA-C 112.544 -0.222 . . . . 62.12 112.544 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 65.3 p -108.86 128.79 55.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.927 0.394 . . . . 75.33 110.811 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 58.23 26.67 14.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 74.52 110.826 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.0 tpp -103.69 101.49 11.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 55.31 110.921 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.1 t 51.66 58.27 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 75.12 111.093 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -93.9 -29.8 15.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 64.11 110.912 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.1 mtp -141.06 125.69 17.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 74.13 110.873 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -61.52 -19.22 61.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 74.33 110.903 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.2 ttt -51.46 158.0 0.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 74.5 110.884 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -131.61 178.2 6.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 73.44 110.859 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -143.7 148.58 35.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 72.11 110.854 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 44.6 t -72.28 117.12 55.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.566 0.698 . . . . 71.13 110.882 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -5.89 17.26 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.676 2.251 . . . . 62.35 112.311 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.88 -41.94 8.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 74.51 110.932 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.3 m -111.4 -56.96 2.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 73.34 110.889 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.95 28.78 1.63 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.791 -0.719 . . . . 71.12 112.522 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.0 tp -94.06 131.27 39.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 74.12 110.897 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -81.52 146.17 30.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 74.34 110.931 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.3 t -175.37 176.28 2.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 75.34 111.167 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 mt -127.09 3.5 6.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 70.54 110.891 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.8 mtmt -82.5 0.54 42.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 75.41 110.867 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 62.07 11.71 4.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 73.31 110.975 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.3 mm -144.43 144.18 22.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.091 -0.504 . . . . 74.01 111.132 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.6 t -88.72 111.41 44.09 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.659 0.743 . . . . 72.32 110.86 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -6.67 19.19 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.664 2.243 . . . . 75.21 112.278 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 -60.9 2.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 73.43 110.89 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.9 p -101.83 -36.21 8.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 62.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.58 27.57 5.17 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.781 -0.723 . . . . 73.31 112.514 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -108.03 135.7 48.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.917 0.389 . . . . 75.23 110.882 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.52 140.09 14.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 73.31 110.95 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 p -89.48 158.35 17.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 75.44 111.132 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.1 m -135.75 153.63 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 74.54 111.154 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.0 mm -62.96 112.54 6.96 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.588 0.709 . . . . 72.14 111.115 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -19.45 36.27 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.708 2.272 . . . . 65.23 112.343 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.2 160.55 16.55 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.53 0.681 . . . . 73.43 110.909 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.67 167.7 23.58 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.665 2.243 . . . . 65.13 112.334 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 176.46 6.81 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.584 2.189 . . . . 75.35 112.35 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -103.66 169.41 8.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 72.31 110.883 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -70.43 103.99 2.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 74.1 110.968 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.8 t -120.01 135.05 55.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 64.24 110.87 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.3 tp -81.67 -27.52 33.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 75.41 110.926 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -60.97 -31.28 70.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 73.11 110.892 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.41 113.8 1.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 72.32 110.842 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -62.06 -43.19 99.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 74.41 110.861 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -103.41 20.13 18.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 75.54 110.857 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.81 -31.8 79.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.781 -0.724 . . . . 72.23 112.502 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -87.75 -30.37 20.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.784 0.326 . . . . 72.44 110.87 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -52.85 -29.16 26.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 72.31 110.918 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.1 ttp85 -52.5 -34.42 49.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 73.45 110.876 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -62.22 -34.22 76.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 75.22 110.917 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.9 mmt -101.8 25.43 8.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.856 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.1 tp -66.24 -24.5 66.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 73.52 110.908 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.55 162.36 35.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 75.13 110.895 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.2 mmt85 -54.01 131.69 41.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.869 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -137.75 108.67 6.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 75.24 111.116 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.0 tp -115.62 128.27 55.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 72.24 110.907 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.0 pttt -121.69 119.41 31.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 73.33 110.912 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -89.99 -25.44 20.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 72.43 110.909 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.77 109.33 4.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 74.53 110.868 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -97.65 -35.07 10.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 70.54 110.856 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -53.62 -30.66 43.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 75.11 110.889 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.21 -44.53 65.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 75.21 111.105 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 71.55 110.892 -179.889 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.567 -0.213 . . . . 74.14 112.567 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 20.1 m -64.52 131.18 46.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.936 0.398 . . . . 73.23 110.853 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -91.22 -63.62 1.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 73.04 110.876 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 ttt -61.07 111.49 1.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 73.24 110.862 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.7 m -134.67 168.84 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 75.34 111.155 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.1 mp0 -133.98 148.85 51.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 75.21 110.928 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.4 ttm -163.65 165.2 23.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 72.44 110.88 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.58 -10.12 59.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 75.43 110.881 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.0 ptm -70.63 -171.3 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 74.22 110.903 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -134.27 178.5 6.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 73.52 110.874 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -144.26 148.34 34.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 72.45 110.94 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.6 t -72.53 116.75 52.75 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.657 0.741 . . . . 75.14 110.855 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -5.77 17.03 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.71 2.273 . . . . 74.34 112.341 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -95.96 -43.74 7.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 75.41 110.852 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.7 m -108.62 -57.18 2.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.901 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.61 24.91 2.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.821 -0.704 . . . . 64.33 112.474 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.7 tp -89.88 132.48 35.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 70.12 110.875 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -85.02 144.54 28.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 75.1 110.897 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.4 t -175.36 173.32 2.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 72.34 111.111 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 mt -124.16 9.7 8.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 75.45 110.868 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -86.73 -0.23 55.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 72.51 110.923 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 62.75 11.05 4.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 75.1 110.834 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.9 mm -144.28 144.3 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 73.21 111.092 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.5 t -89.72 111.05 43.83 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.594 0.711 . . . . 73.52 110.918 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.69 -7.03 20.0 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.727 2.285 . . . . 71.13 112.386 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.28 -61.43 1.9 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 73.1 110.851 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.1 p -100.38 -35.85 9.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 51.34 110.906 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.37 29.12 4.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 61.45 112.496 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -111.21 138.29 47.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.914 0.388 . . . . 74.4 110.936 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -50.92 142.34 11.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 74.24 110.956 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -91.89 158.72 16.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 75.33 111.096 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.5 m -134.64 154.91 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 74.55 111.136 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 29.6 mm -64.31 113.03 8.99 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.635 0.731 . . . . 65.44 111.097 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 81.91 0.79 Allowed 'Trans proline' 0 N--CA 1.464 -0.213 0 C-N-CA 122.654 2.236 . . . . 74.41 112.357 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -64.32 160.67 48.19 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.599 0.714 . . . . 65.14 110.922 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 167.76 23.59 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.732 2.288 . . . . 73.01 112.316 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -170.63 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.685 2.257 . . . . 70.0 112.325 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.3 tptt -55.55 154.09 6.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 74.13 110.902 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -115.36 28.89 8.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 75.43 110.896 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.7 -177.81 6.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 75.54 110.884 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 tp 63.61 37.51 10.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 72.43 110.92 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.78 28.0 16.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 75.53 110.876 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -52.13 170.16 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 74.33 110.848 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 68.5 mtt85 -55.18 -35.35 64.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 74.23 110.857 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -96.21 20.13 10.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.161 -0.472 . . . . 70.42 110.928 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.07 -30.86 74.72 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.737 -0.744 . . . . 55.43 112.552 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -83.94 -28.9 27.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.761 0.315 . . . . 74.11 110.867 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -60.01 -24.92 64.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 72.05 110.965 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.36 -67.78 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 75.03 110.837 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.84 -22.95 59.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 74.24 110.878 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.1 mmt -95.81 25.39 4.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 73.32 110.941 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 tt -109.67 -26.12 10.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 75.32 110.968 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.16 163.03 20.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.946 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.3 ptt-85 -119.02 164.39 15.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 73.32 110.929 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.11 -24.5 30.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 73.24 111.079 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 tp -51.87 128.67 24.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 64.01 110.897 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.96 129.95 44.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 73.24 110.88 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -122.87 150.3 43.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 73.33 110.882 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 133.36 50.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 62.33 110.897 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -114.83 -25.83 8.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 75.52 110.862 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt 61.21 45.1 9.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 75.14 110.844 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.97 161.24 30.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 74.33 111.115 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 75.22 110.915 -179.925 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.435 -0.266 . . . . 72.31 112.435 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 69.5 m -154.44 136.65 14.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.942 0.401 . . . . 74.12 110.906 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -76.73 143.8 39.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 63.43 110.846 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.32 159.58 33.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 72.54 110.892 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.2 p -95.82 146.75 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 63.42 111.178 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -85.37 110.34 19.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 72.54 110.813 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.2 mmt -140.26 152.03 45.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 74.24 110.813 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.99 150.48 45.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.856 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.7 ttm -174.17 157.8 2.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 74.14 110.944 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -128.04 175.04 8.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 74.53 110.911 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -143.79 149.3 36.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 75.11 110.912 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.7 t -72.46 117.37 58.37 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.564 0.697 . . . . 65.43 110.927 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 -5.42 16.18 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.633 2.222 . . . . 72.53 112.372 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -96.71 -42.8 7.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 73.44 110.89 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.5 m -110.08 -56.74 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 74.42 110.916 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.72 31.51 1.33 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.707 -0.758 . . . . 71.14 112.423 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.4 tp -96.42 130.39 43.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.873 0.368 . . . . 65.15 110.954 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -81.21 145.99 30.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 70.11 110.897 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -176.05 -178.93 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.059 -0.518 . . . . 72.15 111.138 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.7 mt -132.01 3.53 4.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 75.44 110.914 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -80.94 -0.45 39.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 75.22 110.915 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 63.17 10.5 4.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 74.52 110.891 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.2 mm -143.91 144.02 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 75.52 111.122 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.9 t -88.33 111.79 45.67 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.595 0.712 . . . . 72.11 110.883 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -7.04 20.01 Favored 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.702 2.268 . . . . 71.43 112.399 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -82.58 -61.71 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 74.12 110.879 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.5 p -100.56 -36.56 9.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.26 -0.427 . . . . 73.44 110.879 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.85 27.68 5.06 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.741 -0.742 . . . . 71.11 112.503 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -108.79 138.37 45.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.89 0.376 . . . . 75.51 110.899 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -51.5 141.7 15.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 72.31 110.913 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 p -90.29 159.92 16.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 74.22 111.167 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.3 m -137.02 153.59 29.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 72.34 111.145 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.0 mm -64.1 113.01 8.75 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.567 0.698 . . . . 72.13 111.181 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 98.71 0.7 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.652 2.234 . . . . 74.55 112.338 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -57.0 160.49 6.02 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.588 0.709 . . . . 74.45 110.885 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 167.79 23.38 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.668 2.246 . . . . 74.25 112.304 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 126.74 13.61 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.667 2.245 . . . . 73.55 112.393 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.14 157.08 6.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 75.13 110.937 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -60.64 -55.53 32.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.424 . . . . 75.42 110.854 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 m -59.93 -38.16 81.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 70.1 110.831 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.3 mt -57.31 -28.66 63.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 70.13 110.929 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -157.58 112.9 2.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 72.14 110.942 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -154.03 175.56 13.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 64.34 110.905 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -42.78 95.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 74.53 110.891 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -102.28 20.13 17.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 75.51 110.851 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.41 -28.81 29.25 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.679 -0.772 . . . . 62.15 112.464 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -85.17 -27.8 25.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.341 . . . . 73.54 110.922 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -53.59 -28.4 31.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 72.41 110.927 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -52.28 -32.81 39.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 75.24 110.822 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 43.5 mtm-85 -55.15 -33.54 63.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 75.45 110.909 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -76.43 -31.58 57.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 63.52 110.87 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.06 -74.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.421 . . . . 73.23 110.928 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -67.74 105.56 1.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.954 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -93.34 -25.45 17.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 74.41 110.878 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.72 -29.23 69.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 63.43 111.164 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.1 tp -125.42 126.13 44.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 74.52 110.93 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -131.92 134.67 45.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.93 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -71.46 156.33 39.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 75.21 110.941 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -93.72 143.21 26.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 73.44 110.949 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -82.62 160.27 22.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 75.33 110.904 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -64.25 -38.16 90.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 72.32 110.95 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.55 135.35 55.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 74.35 111.094 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 75.51 110.893 -179.917 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.457 -0.257 . . . . 74.42 112.457 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 31.2 t -127.44 157.37 40.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.964 0.411 . . . . 74.35 110.814 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -122.69 124.35 43.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 74.23 110.801 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.6 mtt -77.27 -32.01 55.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 72.12 110.864 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.8 m -130.3 139.99 49.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 63.34 111.156 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -115.77 142.2 47.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 55.54 110.848 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.9 tpt -151.93 116.31 5.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 65.13 110.891 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.55 130.66 46.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 61.32 110.882 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.3 ptm -174.33 -178.99 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 73.25 110.887 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.39 171.89 8.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 73.54 110.93 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -139.61 147.73 41.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 73.42 110.875 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.0 t -71.76 117.2 55.56 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.59 0.71 . . . . 43.14 110.884 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -5.38 16.08 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.681 2.254 . . . . 73.43 112.366 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -97.23 -43.15 7.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 63.41 110.912 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.2 m -108.26 -57.22 2.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 63.42 110.918 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.98 24.79 2.42 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 44.4 112.489 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.7 tp -91.76 132.29 36.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 74.41 110.979 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -84.35 147.85 26.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 72.5 110.886 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.3 t -175.13 175.4 2.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.039 -0.528 . . . . 72.42 111.13 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 mt -123.8 3.64 8.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 75.1 110.893 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -82.67 -2.31 53.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 74.54 110.904 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 62.3 11.38 4.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 74.42 110.83 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.6 mm -145.07 133.64 17.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 73.22 111.118 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.9 t -74.34 114.56 34.74 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.583 0.706 . . . . 72.03 110.881 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 -7.08 20.15 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.637 2.225 . . . . 75.03 112.356 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -85.27 -60.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 75.13 110.861 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.8 p -104.16 -39.94 6.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 71.51 110.833 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.57 -26.05 5.8 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.777 -0.725 . . . . 34.52 112.472 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -49.95 137.5 16.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.876 0.37 . . . . 75.11 110.894 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -60.26 145.12 48.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 65.2 110.866 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -91.31 147.7 22.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 74.23 111.147 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.7 m -126.65 147.76 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 73.53 111.087 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 44.4 mm -60.92 112.19 5.32 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 64.24 111.136 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -45.95 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.721 2.281 . . . . 73.11 112.319 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.0 pttp -131.99 153.66 81.45 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.577 0.703 . . . . 75.43 110.939 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 167.75 23.51 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.702 2.268 . . . . 71.53 112.414 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -174.41 0.92 Allowed 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.714 2.276 . . . . 75.02 112.33 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -82.2 -45.91 14.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 72.1 110.954 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -119.06 104.8 10.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 75.42 110.893 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.9 t -91.41 -42.5 10.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 72.42 110.863 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 tp -58.9 -21.77 58.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 75.31 110.944 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -99.9 -25.34 14.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 75.02 110.882 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -52.06 103.45 0.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 72.34 110.83 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -63.11 -25.43 68.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 75.11 110.881 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.7 m0 -94.29 20.02 8.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.224 -0.444 . . . . 72.34 110.916 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.37 -30.85 49.97 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.688 -0.767 . . . . 64.33 112.572 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -80.42 -28.56 37.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.744 0.307 . . . . 74.45 110.871 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -57.22 -24.25 53.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.268 -0.424 . . . . 64.44 110.874 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -52.02 -68.73 0.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.8 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.6 ptp85 -53.49 -41.62 66.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 74.2 110.908 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.4 mmt -57.4 -23.8 51.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 75.14 110.861 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.4 tt -70.69 -23.36 62.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.956 0.408 . . . . 72.21 110.935 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -76.84 152.57 35.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 74.1 110.902 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -108.95 33.82 4.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.816 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -167.21 89.33 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 74.24 111.113 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.0 140.32 30.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 74.44 110.944 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -100.05 26.58 6.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 73.41 110.901 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 52.51 33.07 12.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 72.55 110.857 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -61.73 131.26 49.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 73.12 110.838 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -135.64 144.74 46.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 74.43 110.879 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm 53.42 43.54 31.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 75.32 110.87 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -100.14 142.09 32.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 62.23 111.117 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 74.33 110.914 -179.923 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.423 -0.271 . . . . 73.13 112.423 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 25.3 p -149.97 151.74 33.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 72.02 110.851 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -93.74 178.13 5.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 74.21 110.851 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.4 mtp -87.68 127.69 35.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 62.14 110.833 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.7 m -81.66 156.15 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 74.22 111.129 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -89.32 -29.91 18.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.928 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.77 137.09 38.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 61.34 110.855 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.78 155.58 1.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 75.21 110.864 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.5 ptm -174.51 -172.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 73.01 110.855 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.48 168.67 11.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 75.13 110.866 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -138.23 148.86 45.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 72.32 110.906 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.8 t -72.1 116.58 50.11 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.608 0.718 . . . . 73.41 110.865 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -5.24 15.72 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.681 2.254 . . . . 74.25 112.328 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -96.59 -44.67 7.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 73.43 110.883 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.3 m -107.29 -56.74 2.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.252 -0.431 . . . . 73.1 110.904 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.36 27.13 2.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.699 -0.762 . . . . 65.31 112.508 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.8 tp -92.33 132.77 36.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.836 0.35 . . . . 73.21 110.919 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -83.87 145.65 28.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 74.43 110.938 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.1 t -175.23 176.52 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.5 . . . . 74.23 111.176 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 mt -126.33 3.42 7.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 74.25 110.898 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -81.13 -2.12 47.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 71.31 110.876 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 62.42 11.11 4.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 74.43 110.892 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.6 mm -145.15 133.47 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 73.14 111.184 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.7 t -74.52 114.84 37.85 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.643 0.735 . . . . 74.32 110.83 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -6.96 19.82 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.649 2.233 . . . . 73.32 112.364 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.03 -60.32 2.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 75.32 110.905 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.2 p -104.82 -39.93 6.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 63.21 110.911 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.08 -26.76 5.78 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.794 -0.717 . . . . 74.12 112.469 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -49.14 133.65 18.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.943 0.401 . . . . 75.53 110.916 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.12 145.37 31.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 74.44 110.874 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -91.75 150.2 21.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 53.33 111.05 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.9 m -129.16 149.72 33.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 72.22 111.081 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.4 mm -61.25 112.17 5.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.594 0.712 . . . . 73.33 111.066 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -8.75 24.4 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.657 2.238 . . . . 71.45 112.377 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -125.64 75.88 69.99 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.578 0.704 . . . . 75.53 110.894 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 167.5 24.2 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.67 2.247 . . . . 71.13 112.435 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -172.77 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.681 2.254 . . . . 73.51 112.343 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.93 147.16 35.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 73.22 110.92 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -70.39 -33.69 71.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.32 110.828 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.28 155.26 25.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.482 . . . . 73.02 110.896 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.5 mt -68.4 -34.31 75.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 73.22 110.874 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -146.55 106.98 4.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 75.41 110.914 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -105.7 146.53 29.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 74.51 110.806 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -62.52 -64.7 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 72.51 110.825 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -104.79 -23.55 13.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 75.52 110.839 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.52 -84.79 0.26 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.786 -0.721 . . . . 70.53 112.488 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.8 pttt -52.34 -29.82 25.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.351 . . . . 74.3 110.904 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -57.34 -28.22 62.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 73.44 110.922 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -52.03 -42.81 63.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 74.31 110.871 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -67.11 -42.59 84.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 74.22 110.874 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -23.3 67.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 74.04 110.861 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.8 tt -52.64 -29.04 24.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 75.12 110.929 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.81 125.75 15.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 73.35 110.887 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -124.64 170.94 10.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 70.54 110.896 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.9 -32.09 27.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 72.04 111.113 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.03 115.35 19.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.43 . . . . 74.15 110.916 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.79 125.11 48.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 74.44 110.898 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -54.9 150.55 9.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 63.34 110.937 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -59.82 160.46 7.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 73.35 110.865 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -101.0 118.62 37.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 75.23 110.878 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.6 tptm -147.72 126.46 12.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 74.45 110.875 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.64 138.42 34.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 71.45 111.133 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 73.35 110.955 -179.951 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.521 -0.232 . . . . 64.13 112.521 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.3 m -85.08 143.92 28.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.962 0.41 . . . . 71.01 110.846 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 30.1 m80 -129.88 168.78 16.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 73.25 110.806 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ptm -55.55 143.3 30.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 63.53 110.841 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.6 p -151.62 135.62 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 63.41 111.155 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -83.23 111.97 19.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 72.23 110.924 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.16 159.24 31.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.855 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.78 -15.31 61.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 75.03 110.864 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.7 ttt -51.46 138.76 21.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 64.12 110.898 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.24 177.1 4.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 73.04 110.872 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -136.88 145.59 44.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 74.13 110.912 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 45.8 t -72.12 116.7 51.34 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-O 121.618 0.723 . . . . 74.52 110.875 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -5.41 16.13 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.765 2.31 . . . . 73.45 112.284 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -96.58 -41.93 8.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 71.33 110.92 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.2 m -111.61 -57.07 2.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 74.52 110.869 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.93 26.86 2.0 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 63.4 112.41 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.3 tp -91.58 134.97 34.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 73.34 110.901 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -85.27 144.14 28.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 71.52 110.973 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.2 t -175.25 170.4 3.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 72.35 111.16 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mt -120.04 2.18 10.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 72.4 110.92 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -78.86 -3.17 43.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.93 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 63.9 9.64 4.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 63.13 110.808 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.9 mm -144.1 137.07 23.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 74.12 111.136 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.2 t -78.29 114.02 39.01 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.662 0.744 . . . . 72.04 110.879 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -6.74 19.3 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.727 2.284 . . . . 74.21 112.361 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.23 -60.31 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 75.02 110.975 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.7 p -103.37 -39.38 6.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 64.15 110.893 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.1 -25.94 6.25 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 73.31 112.547 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -51.34 142.72 12.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.953 0.406 . . . . 74.43 110.855 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -65.61 144.46 56.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 75.11 110.88 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 p -87.48 151.31 23.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.277 -0.42 . . . . 74.32 111.133 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 m -131.18 159.91 42.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 71.04 111.146 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.9 mm -62.96 113.12 8.24 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.664 0.745 . . . . 73.33 111.165 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -48.9 0.62 Allowed 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.631 2.22 . . . . 74.53 112.332 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -128.26 157.46 74.34 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.634 0.731 . . . . 73.21 110.882 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 167.28 24.89 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.737 2.291 . . . . 73.03 112.332 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 126.27 13.11 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.655 2.237 . . . . 64.23 112.275 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.75 122.01 24.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 72.32 110.896 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -160.48 105.24 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 70.51 110.838 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.3 p -156.19 107.69 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 71.55 110.843 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 tt -90.99 -29.09 17.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 74.21 110.931 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -80.91 -24.08 38.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 75.35 110.902 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -59.47 97.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 75.5 110.881 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -67.42 -42.65 82.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 73.55 110.854 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -104.97 -24.13 12.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.151 -0.477 . . . . 73.54 110.968 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.34 -85.28 0.25 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 73.55 112.509 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -51.87 -30.21 22.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.776 0.322 . . . . 74.35 110.867 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -52.63 -35.2 54.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 71.52 110.898 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.24 -44.51 92.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 65.34 110.859 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -38.99 70.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 74.23 110.826 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.1 tpt -111.52 35.54 3.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 73.01 110.936 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.6 pp -75.81 -17.01 60.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 62.03 110.945 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -88.81 168.36 12.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 74.33 110.86 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.0 mmt85 -113.03 -27.17 8.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 75.11 110.873 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.6 119.69 39.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 72.42 111.088 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.3 tp -157.52 134.03 9.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 73.41 110.946 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.84 -28.62 10.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 74.05 110.964 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -80.69 108.78 14.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 65.11 110.868 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.2 ptpp? -100.37 152.92 19.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 72.34 110.904 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -157.22 107.59 2.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 74.45 110.894 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.56 -46.33 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 75.04 110.885 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -139.15 158.62 43.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 60.24 111.11 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 74.5 110.906 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 N-CA-C 112.54 -0.224 . . . . 71.15 112.54 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 4.2 m -117.72 167.39 11.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.938 0.399 . . . . 73.04 110.85 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -84.74 -35.94 22.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 74.34 110.903 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt -60.9 -31.93 71.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 73.12 110.852 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 m -112.09 158.03 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 72.25 111.109 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -139.11 148.87 43.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 74.51 110.913 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 7.6 mtt -94.18 164.03 13.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 73.02 110.895 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.82 121.28 16.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 74.33 110.853 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 77.6 mtp -153.72 155.66 36.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 65.51 110.895 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.12 171.82 7.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 73.35 110.864 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -147.39 148.41 31.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 72.34 110.922 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.8 t -72.57 118.31 66.66 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.663 0.744 . . . . 70.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -5.65 16.77 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.629 2.219 . . . . 72.11 112.361 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.42 -46.9 5.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.842 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.2 m -102.98 -56.38 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 70.01 110.864 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 117.01 30.03 2.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 75.33 112.49 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 tp -95.66 131.7 41.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.836 0.351 . . . . 73.34 110.892 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -81.61 149.81 28.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 64.21 110.941 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -175.92 -179.3 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 74.14 111.157 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mt -131.92 3.32 4.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 73.44 111.005 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -84.51 2.37 41.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 75.43 110.846 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 60.67 13.36 4.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 74.23 110.842 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.0 mm -143.74 145.72 21.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 74.4 111.117 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.2 t -90.34 113.43 57.45 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 75.22 110.871 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -8.25 23.12 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.697 2.265 . . . . 73.43 112.364 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -80.84 -60.41 2.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 73.24 110.895 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.5 p -100.96 -40.89 7.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 73.53 110.938 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.43 52.12 0.78 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.67 -0.776 . . . . 74.44 112.417 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.53 151.05 52.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.903 0.382 . . . . 75.42 110.837 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 ttpp -60.25 122.08 13.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 74.43 110.915 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 p -73.82 164.33 26.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 74.31 111.131 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.4 m -136.08 154.95 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 72.51 111.179 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.9 mm -65.94 113.27 11.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.586 0.708 . . . . 70.52 111.131 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -49.32 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 2.239 . . . . 74.21 112.402 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -126.68 160.0 60.87 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.58 0.705 . . . . 73.33 110.847 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 167.68 23.62 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.701 2.267 . . . . 74.42 112.327 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.79 -41.23 4.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.678 2.252 . . . . 74.32 112.386 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.45 151.05 33.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 74.21 110.959 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -55.62 -73.0 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 75.52 110.924 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.75 40.95 15.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 72.42 110.852 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.01 -25.56 37.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 74.41 110.889 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -101.98 -24.52 13.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 73.32 110.944 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -51.87 138.08 24.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 73.54 110.824 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -59.2 -35.97 74.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 74.12 110.837 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -94.32 20.08 8.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 75.25 110.94 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.98 -30.8 38.39 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.758 -0.734 . . . . 72.43 112.421 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -87.54 -25.18 23.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.791 0.329 . . . . 72.02 110.893 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -53.87 -27.93 33.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 72.05 110.953 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 60.4 ttt-85 -58.67 -36.29 73.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 62.5 110.921 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -62.7 -33.05 74.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 74.53 110.872 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.7 mmt -84.35 -24.53 29.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 72.12 110.92 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.4 tt -51.97 -67.6 0.24 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 70.13 110.908 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -73.39 125.51 28.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 73.33 110.914 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -100.93 171.91 7.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.299 -0.409 . . . . 73.55 110.881 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 64.02 36.52 9.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 72.12 111.09 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.77 -31.01 59.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 75.2 110.867 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -84.57 124.58 31.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 74.44 110.91 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -161.76 161.91 29.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.436 . . . . 74.42 110.946 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -60.04 170.03 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 72.44 110.932 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.0 p30 -136.89 165.81 25.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 75.21 110.882 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -62.2 154.73 26.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 71.52 110.881 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.37 -38.05 71.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 73.15 111.137 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 64.5 110.84 -179.868 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.542 -0.223 . . . . 63.13 112.542 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.8 m -139.89 136.58 34.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 75.32 110.851 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -53.47 -39.98 64.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 75.51 110.847 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.5 ttt -83.83 151.63 25.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 72.1 110.893 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.2 p -61.03 144.74 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 74.41 111.187 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -86.05 110.43 19.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 70.44 110.894 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.55 -28.72 24.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 71.53 110.87 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.89 160.02 2.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.819 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.2 ptm -174.18 -169.5 0.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 73.13 110.891 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -128.33 170.62 12.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 75.13 110.918 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.1 ttpt -140.01 149.58 43.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 73.4 110.859 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.4 t -72.46 116.48 49.84 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 54.21 110.855 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -5.59 16.58 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.657 2.238 . . . . 54.1 112.339 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.21 -45.43 7.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 65.22 110.872 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.3 m -107.73 -56.33 2.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 70.3 110.882 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.63 29.17 1.61 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.76 -0.733 . . . . 70.12 112.493 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 tp -93.77 132.09 38.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.363 . . . . 73.14 110.94 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -83.4 144.57 29.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 75.43 110.914 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -175.36 179.58 1.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 65.34 111.166 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.8 mt -129.86 3.2 4.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 74.43 110.94 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -79.02 -3.26 44.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 73.42 110.931 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 64.39 8.96 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 75.43 110.884 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.9 mm -144.95 133.95 17.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 71.35 111.163 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.1 t -75.21 114.3 34.03 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.684 0.754 . . . . 75.15 110.846 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.75 -6.52 18.79 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.707 2.272 . . . . 54.44 112.292 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.64 -60.82 1.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 74.23 110.916 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.9 p -102.55 -38.83 7.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 63.35 110.906 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.42 -26.8 6.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.757 . . . . 73.3 112.509 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -50.83 142.8 10.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.967 0.413 . . . . 73.2 110.929 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.8 mtmm -64.5 145.07 56.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.887 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.32 155.21 19.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 72.41 111.102 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.5 m -133.02 150.75 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 75.25 111.178 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.2 mm -62.95 112.58 7.04 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.564 0.697 . . . . 73.0 111.097 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 111.43 2.81 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.674 2.25 . . . . 64.31 112.381 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.07 159.87 5.3 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.546 0.688 . . . . 73.43 110.96 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 167.72 23.58 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.611 2.207 . . . . 75.22 112.373 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -42.94 2.97 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 73.11 112.321 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.03 -170.08 2.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.29 -0.414 . . . . 73.1 110.904 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -53.57 -29.29 36.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 63.33 110.919 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 m -101.76 175.44 5.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 73.03 110.858 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.6 mt -80.49 -36.05 33.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.066 -0.516 . . . . 74.01 110.879 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -146.47 118.43 8.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 72.01 110.873 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.8 p30 -111.96 21.98 15.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 75.21 110.869 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.4 mmp_? -68.0 -67.77 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 75.43 110.909 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -104.16 -21.4 13.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 72.22 110.892 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.47 -85.54 0.26 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.687 -0.768 . . . . 62.44 112.529 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -52.11 -29.8 23.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.782 0.325 . . . . 71.44 110.947 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -56.92 -29.53 63.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 75.32 110.893 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -51.91 -31.8 30.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.917 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.3 ttm-85 -51.51 -68.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 75.12 110.899 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -54.03 -27.58 32.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 75.44 110.908 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.11 -31.47 72.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.235 -0.439 . . . . 75.13 110.951 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm 52.04 43.64 30.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 71.11 110.925 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -81.15 130.29 34.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 71.33 110.854 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 60.05 34.77 21.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 73.01 111.121 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.01 -32.41 24.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 74.52 110.919 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -103.8 -31.88 9.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 74.3 110.87 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -108.2 172.26 6.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 73.05 110.876 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.55 114.34 16.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 74.54 110.907 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -91.84 110.56 21.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 71.1 110.835 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -140.34 142.18 35.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 71.4 110.865 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.56 -41.83 75.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 73.14 111.071 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 74.44 110.85 -179.864 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.482 -0.247 . . . . 64.35 112.482 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 38.6 t -86.83 -15.62 38.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.912 0.387 . . . . 71.34 110.812 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -51.76 -42.46 62.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 75.12 110.934 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mtm -70.55 125.34 26.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 75.14 110.959 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 20.0 t -98.87 143.54 13.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 62.02 111.116 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -94.45 113.06 24.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 75.13 110.894 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -51.99 143.62 13.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 72.03 110.871 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.84 155.69 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 70.3 110.864 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.3 ptm -174.56 -169.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 64.02 110.867 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -127.72 175.46 8.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 73.23 110.902 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -144.88 149.2 34.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 74.52 110.882 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.9 t -72.39 116.59 50.8 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.635 0.731 . . . . 73.41 110.933 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -6.02 17.63 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.708 2.272 . . . . 75.22 112.295 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -95.47 -44.58 7.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 74.24 110.915 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.0 m -107.89 -57.01 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 73.43 110.857 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.16 28.23 1.7 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 32.23 112.407 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.8 tp -92.69 131.19 37.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.806 0.336 . . . . 73.34 110.919 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -83.73 144.39 29.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 75.42 110.901 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.3 t -175.27 -179.56 1.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.069 -0.514 . . . . 63.23 111.116 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 mt -131.04 4.06 4.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 61.41 110.92 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt -80.52 -0.47 37.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 75.2 110.919 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 63.57 10.22 4.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 61.54 110.835 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.1 mm -143.96 145.2 22.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 74.42 111.12 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.6 t -90.31 111.17 45.61 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.648 0.737 . . . . 61.24 110.923 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -6.71 19.22 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 74.23 112.393 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.76 -60.21 2.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 74.33 110.892 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.7 p -101.92 -36.15 8.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 73.14 110.918 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.09 28.4 4.97 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.708 -0.758 . . . . 51.01 112.482 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -110.3 137.67 47.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.015 0.436 . . . . 74.44 110.852 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.8 mttm -50.62 142.17 11.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 74.53 110.879 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 p -90.68 159.11 16.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 74.54 111.134 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.2 m -136.46 153.79 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 72.14 111.099 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.4 mm -63.63 113.07 8.6 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.697 0.761 . . . . 73.13 111.081 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 105.75 1.54 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.243 . . . . 72.21 112.336 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.63 160.57 9.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 64.53 110.912 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 167.63 23.82 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.654 2.236 . . . . 74.41 112.364 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.81 177.62 5.43 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.694 2.262 . . . . 65.31 112.282 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.03 121.2 39.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 75.45 110.922 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -147.62 103.84 3.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 75.22 110.834 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 t -163.54 174.71 11.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 75.23 110.827 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.3 tt -108.54 -31.18 7.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 51.34 110.89 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -64.71 -32.93 74.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 73.11 110.86 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -89.77 103.48 16.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 70.32 110.882 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.66 -74.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 71.32 110.826 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -97.6 19.41 13.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 72.33 110.855 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.9 -30.85 54.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.681 -0.771 . . . . 72.41 112.489 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -64.95 -19.17 65.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.741 0.305 . . . . 74.45 110.885 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -53.23 -33.29 52.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 75.13 110.953 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -56.07 -24.8 42.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 75.42 110.862 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -87.17 -41.47 13.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 73.24 110.876 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.1 mmt -101.46 35.1 2.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 73.03 110.927 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -64.57 -26.61 68.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 74.22 110.934 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -91.82 135.92 33.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 75.55 110.882 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.6 mmm-85 -101.83 30.49 4.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 73.44 110.954 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.54 -47.5 13.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 73.41 111.107 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 tp -85.51 137.67 32.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 73.22 110.943 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -121.39 138.49 54.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 75.32 110.852 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -80.5 112.63 18.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 64.21 110.9 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.43 -18.69 15.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 75.51 110.81 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -90.72 156.03 18.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 74.11 110.854 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -112.46 118.02 34.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 75.21 110.958 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -116.39 150.72 37.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 73.43 111.073 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.292 -0.413 . . . . 74.15 110.962 -179.963 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.512 -0.235 . . . . 74.42 112.512 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 20.9 t -98.34 127.45 44.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.94 0.4 . . . . 54.2 110.836 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -115.04 -25.47 8.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 75.42 110.795 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.4 tpp -52.36 121.24 6.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 71.14 110.911 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.3 m -129.63 144.69 37.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 73.12 111.143 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 54.28 36.45 25.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 75.44 110.957 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.45 177.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 74.32 110.862 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -170.77 158.79 6.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 75.14 110.88 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.7 ptm -174.4 -170.93 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.823 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -127.65 177.25 6.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 73.45 110.876 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -145.92 148.85 33.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 72.2 110.957 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.3 t -72.19 116.78 52.37 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.564 0.697 . . . . 71.42 110.904 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -6.0 17.53 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.789 2.326 . . . . 74.13 112.318 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.89 -45.16 7.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 74.14 110.862 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.6 m -106.59 -56.59 2.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 73.1 110.876 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.77 29.58 1.67 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.713 -0.756 . . . . 65.23 112.513 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.5 tp -95.76 131.17 42.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.795 0.331 . . . . 70.14 111.004 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -82.88 146.22 29.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 75.01 110.9 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -174.48 -179.37 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 44.21 111.186 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.0 mt -129.98 2.68 4.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 74.34 110.894 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -80.14 -1.5 40.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 75.24 110.818 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 65.05 7.99 4.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 74.13 110.925 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.4 mm -144.13 143.37 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.33 111.19 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.7 t -82.9 112.8 40.87 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.646 0.736 . . . . 75.33 110.898 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -5.32 15.95 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.713 2.275 . . . . 72.45 112.362 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.74 -61.44 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 70.02 110.914 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.5 p -99.8 -36.66 9.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 71.15 110.908 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.99 30.37 5.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 54.52 112.489 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -108.29 139.47 42.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.003 0.43 . . . . 74.21 110.856 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.62 137.03 20.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 74.3 110.965 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 p -90.68 161.36 15.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 61.31 111.092 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.6 m -138.94 154.3 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 75.05 111.138 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.0 mm -63.5 112.8 7.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.649 0.738 . . . . 74.2 111.177 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 118.86 5.93 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.705 2.27 . . . . 74.1 112.285 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -130.18 75.61 79.06 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.594 0.711 . . . . 74.33 110.926 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 167.71 23.69 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.634 2.223 . . . . 72.04 112.388 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -179.08 2.67 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.687 2.258 . . . . 64.12 112.39 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.88 127.34 31.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 74.52 110.905 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -58.19 101.45 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.893 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -127.44 109.81 12.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 75.42 110.851 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.41 -28.84 68.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 73.22 110.935 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -109.18 -33.36 6.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 73.42 110.854 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 t0 53.22 40.65 31.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 74.33 110.905 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -60.09 -43.4 95.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 73.41 110.89 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 21.2 m95 -104.15 20.1 18.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.187 -0.461 . . . . 74.32 110.923 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.03 -30.39 30.43 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.825 -0.702 . . . . 73.52 112.456 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.8 mtmt -88.06 -29.49 20.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 72.33 110.924 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -52.42 -31.22 33.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 71.23 110.933 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -57.89 -65.75 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 74.12 110.934 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -55.01 -39.22 68.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 75.13 110.841 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.1 mmt -62.79 -25.23 68.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 73.45 110.783 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.4 tt -81.3 -20.72 40.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.437 . . . . 72.34 110.907 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.31 104.73 6.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 71.02 110.941 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.2 ptt-85 -113.08 -26.79 8.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 63.51 110.897 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -92.61 -58.26 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 73.41 111.141 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.7 tp -71.09 119.25 14.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.481 . . . . 73.52 110.888 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -122.69 137.02 55.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 74.03 110.911 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -86.56 116.66 24.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 75.22 110.865 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -85.96 167.03 15.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 74.43 110.854 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -89.62 117.24 28.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 73.31 110.83 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -88.12 175.02 7.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 72.42 110.881 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.71 -61.03 2.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 71.13 111.123 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 70.34 110.936 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.501 -0.24 . . . . 55.34 112.501 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 5.2 t -165.48 156.96 14.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.924 0.392 . . . . 53.31 110.823 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -87.16 111.77 21.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.065 -0.516 . . . . 74.23 110.801 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 mmt -86.65 -26.86 24.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 71.4 110.862 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.9 p -70.11 132.8 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 72.25 111.109 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 51.97 57.41 6.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.911 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.5 ttt -128.19 126.18 40.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 74.22 110.928 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.11 157.52 5.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 70.33 110.904 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 9.0 ttm -175.22 159.13 2.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 75.13 110.865 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.5 ptmt -128.92 173.24 10.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 74.42 110.907 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -143.47 149.27 37.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.277 -0.419 . . . . 75.11 110.86 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 47.6 t -72.02 117.15 55.59 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.623 0.725 . . . . 74.52 110.912 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -5.78 17.02 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.72 2.28 . . . . 73.14 112.322 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.65 -44.84 7.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 73.2 110.882 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.0 m -108.43 -56.07 2.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 74.13 110.949 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.89 34.73 1.02 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 55.12 112.495 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.5 tp -98.36 129.52 45.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 74.22 110.91 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -81.88 144.89 30.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 75.03 110.929 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -176.02 -179.77 1.19 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.479 . . . . 72.32 111.16 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mt -128.55 0.49 5.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 72.5 110.924 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -77.42 -3.3 39.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 71.13 110.891 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 64.92 8.32 4.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.243 -0.435 . . . . 74.41 110.888 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.0 mm -141.03 143.39 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 73.32 111.153 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.9 t -87.6 111.39 41.51 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.65 0.738 . . . . 72.21 110.888 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -6.67 19.12 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 74.33 112.337 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.79 -59.34 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.428 . . . . 75.54 110.886 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.5 p -104.2 -36.78 7.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 70.2 110.849 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.99 28.75 4.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.726 . . . . 75.01 112.526 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -107.98 139.61 42.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 70.44 110.924 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -52.08 139.76 22.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 72.13 110.964 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 p -91.14 154.88 19.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.25 -0.432 . . . . 71.11 111.134 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.4 m -132.85 154.27 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 74.13 111.212 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.7 mm -62.8 112.31 6.46 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.572 0.701 . . . . 73.4 111.148 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -9.97 27.43 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.635 2.223 . . . . 63.11 112.367 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -93.83 158.84 35.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.552 0.691 . . . . 75.55 110.866 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 167.86 23.26 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.632 2.221 . . . . 73.2 112.317 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -41.1 4.47 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 72.44 112.327 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -56.42 -30.42 62.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 72.33 110.927 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -52.59 102.84 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 74.24 110.911 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -148.1 167.83 23.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 64.25 110.85 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -54.59 -27.16 37.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 73.21 110.892 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -132.27 138.01 47.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 73.31 110.961 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -139.05 125.59 20.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 71.32 110.861 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -60.38 -28.36 68.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 75.51 110.924 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 23.0 m95 -99.45 20.03 14.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 74.42 110.937 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.28 -31.98 35.84 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.737 . . . . 74.22 112.539 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -88.04 -26.01 22.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 74.42 110.887 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -54.59 -27.07 36.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 54.4 110.951 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.1 tpp85 -52.14 -30.12 25.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.076 -0.511 . . . . 75.05 110.868 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.6 mtt-85 -56.76 -32.07 65.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 74.42 110.886 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.6 mmt -99.29 -30.82 12.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 74.11 110.925 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.54 -28.82 33.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 74.3 110.899 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 100.59 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 73.11 110.918 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 74.4 mtt180 -63.79 -73.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 75.35 110.907 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -152.59 111.67 3.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 73.03 111.065 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 58.22 38.73 26.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 74.3 110.945 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -88.15 -32.93 18.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 65.45 110.865 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -156.53 115.17 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 65.03 110.919 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 139.04 57.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 73.23 110.938 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -51.89 -57.69 8.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 74.32 110.883 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -140.9 152.69 45.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 73.33 110.92 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.69 -40.1 84.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 70.13 111.112 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 74.22 110.922 -179.943 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.52 -0.232 . . . . 74.13 112.52 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 25.2 p -68.81 118.9 12.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.926 0.393 . . . . 74.53 110.833 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -65.43 143.9 57.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.486 . . . . 72.4 110.885 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.0 mtt -116.59 176.03 5.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 75.35 110.926 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.5 p -91.04 147.42 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 73.2 111.171 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -62.02 178.67 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 72.52 110.872 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.8 mmt -138.39 136.6 36.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.132 -0.485 . . . . 74.02 110.842 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -63.1 -31.9 73.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 74.54 110.88 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.1 ttt -73.8 157.54 36.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 71.23 110.945 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -130.66 174.79 9.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.257 -0.429 . . . . 74.23 110.911 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -141.37 148.87 40.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 70.0 110.846 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 47.2 t -71.73 117.25 55.94 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.628 0.728 . . . . 73.33 110.85 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -5.91 17.33 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.67 2.247 . . . . 71.4 112.336 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.2 -42.8 8.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 73.12 110.888 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.7 m -109.8 -56.99 2.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 63.55 110.798 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.67 31.6 1.33 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.766 -0.731 . . . . 64.15 112.507 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 tp -97.26 130.92 44.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.793 0.33 . . . . 74.02 110.92 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -80.32 145.46 32.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 73.01 110.881 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.1 t -175.68 174.68 2.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 73.25 111.157 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 mt -125.31 2.77 7.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 72.14 110.844 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -80.38 -2.73 46.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 75.32 110.886 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 63.18 10.33 4.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 74.2 110.847 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.0 mm -144.79 134.1 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 73.41 111.08 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.2 t -74.86 114.63 36.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.562 0.696 . . . . 72.13 110.848 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -5.62 16.65 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.685 2.257 . . . . 75.32 112.337 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.59 -61.97 1.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 74.45 110.837 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.3 p -100.92 -37.79 8.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 70.25 110.87 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.46 -26.8 6.84 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.628 -0.796 . . . . 64.03 112.499 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -50.75 141.57 12.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.993 0.425 . . . . 61.54 110.813 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 mtmt -63.51 143.92 57.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 75.12 110.868 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.24 158.16 19.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.283 -0.417 . . . . 73.43 111.106 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.0 m -136.42 155.22 33.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 74.11 111.186 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 24.1 mm -63.43 112.57 7.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 65.23 111.133 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 84.92 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.669 2.246 . . . . 71.42 112.322 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.5 mtmm -62.03 160.55 29.07 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.523 0.678 . . . . 71.45 110.934 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 167.75 23.57 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.664 2.242 . . . . 73.3 112.308 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -179.32 2.83 Favored 'Trans proline' 0 N--CA 1.465 -0.202 0 C-N-CA 122.695 2.264 . . . . 74.51 112.382 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -67.74 155.23 39.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 72.34 110.918 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -110.91 -28.22 8.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 74.02 110.953 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 m -128.63 164.41 22.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 75.54 110.87 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.61 -26.53 65.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 75.23 110.911 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -122.91 118.22 27.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 75.11 110.914 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -124.13 152.73 42.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 72.34 110.865 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -58.91 -66.77 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 73.03 110.859 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -101.07 -24.09 14.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 74.12 110.94 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.8 -27.86 45.11 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.676 -0.773 . . . . 24.04 112.498 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -68.59 -31.24 70.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 75.31 110.904 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -57.99 -24.81 59.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 73.22 110.936 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -31.04 31.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 75.45 110.874 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.3 mtp85 -59.9 -33.02 71.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 74.53 110.876 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 29.3 mmt -91.91 -23.61 19.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 64.33 110.844 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.7 tp -51.79 -74.95 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.234 -0.439 . . . . 73.23 110.844 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -68.06 110.37 3.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 73.54 110.894 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -72.23 138.0 47.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 75.34 110.942 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.78 -49.86 13.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 74.13 111.129 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 tp -68.61 138.03 54.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 65.11 110.868 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.2 tptt -91.58 -29.05 17.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 73.23 110.851 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -66.24 120.13 12.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.249 -0.432 . . . . 71.44 110.923 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -87.72 119.7 28.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 72.33 110.921 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -106.36 126.65 52.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 73.45 110.864 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt 53.67 36.94 24.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 70.3 110.914 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.38 138.31 31.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 60.14 111.096 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 73.22 110.911 -179.901 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.547 -0.221 . . . . 61.44 112.547 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 5.2 m -54.34 -35.25 62.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.919 0.39 . . . . 61.23 110.905 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -57.55 -32.42 67.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 72.14 110.902 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 ttm -63.29 132.8 52.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 74.04 110.813 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.5 t -130.85 140.05 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 65.31 111.107 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -76.85 158.06 31.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 63.31 110.858 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 32.3 mtt -125.64 162.93 23.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 75.11 110.848 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -61.5 -24.46 66.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 71.0 110.795 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.3 ptm -76.79 -170.85 1.72 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 73.21 110.842 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -132.42 178.44 6.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 65.33 110.935 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -146.2 147.18 31.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.314 -0.403 . . . . 75.12 110.934 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.5 t -72.25 116.29 47.54 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.581 0.705 . . . . 70.32 110.896 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -6.68 19.17 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.707 2.272 . . . . 71.13 112.361 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -94.43 -44.26 7.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 75.15 110.845 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.3 m -108.29 -56.41 2.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.918 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.57 20.8 3.13 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.685 -0.769 . . . . 75.11 112.436 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.0 tp -85.14 132.75 34.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.87 0.366 . . . . 74.13 110.916 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -85.86 144.06 27.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 73.31 110.967 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.4 t -175.16 179.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.32 111.115 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 mt -130.18 5.01 4.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 63.1 110.941 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.4 mtpt -80.62 -1.19 41.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.932 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 63.79 9.96 4.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 75.04 110.89 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.2 mm -144.58 144.25 22.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 64.33 111.112 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.9 t -88.29 111.48 43.62 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.599 0.714 . . . . 73.11 110.863 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -6.35 18.36 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 72.43 112.386 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.62 -62.46 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 64.34 110.889 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.3 p -98.07 -36.17 10.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 63.52 110.903 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.4 29.2 5.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 75.22 112.536 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -111.39 138.64 47.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.378 . . . . 75.11 110.913 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -49.83 143.53 7.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 72.52 110.914 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.53 156.97 16.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 75.44 111.111 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.3 m -131.8 147.35 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 74.34 111.133 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.1 mp -64.82 113.33 10.51 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.714 0.769 . . . . 75.34 111.153 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 116.31 4.49 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.68 2.254 . . . . 74.41 112.348 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -97.03 158.83 32.71 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.623 0.725 . . . . 72.14 110.826 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 166.01 29.06 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.666 2.244 . . . . 74.11 112.362 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 -170.97 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.721 2.281 . . . . 73.23 112.387 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -163.29 151.28 13.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 74.11 110.868 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -80.61 101.89 9.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 71.22 110.864 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 m -85.84 -26.18 25.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 74.52 110.814 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 tp -69.87 -24.24 63.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 73.35 110.905 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -94.93 -35.13 12.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 72.43 110.922 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.12 115.66 15.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 70.44 110.863 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -68.24 -48.39 65.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 75.34 110.844 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 7.2 m0 -96.15 20.15 10.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 71.42 110.944 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.34 -29.34 68.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.779 -0.724 . . . . 74.25 112.429 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -84.64 -27.06 27.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.733 0.302 . . . . 75.33 110.905 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -69.7 -31.38 69.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.271 -0.422 . . . . 72.34 110.884 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.5 tpt85 -60.58 -35.95 77.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 74.22 110.855 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -30.32 71.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 73.25 110.908 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.1 tpt -82.56 -33.33 28.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 74.14 110.932 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.8 tt -59.99 -28.98 68.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 73.03 110.965 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -91.99 177.93 6.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 73.43 110.885 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -120.75 149.09 43.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 73.04 110.907 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.69 -24.15 66.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 72.34 111.086 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.88 132.8 53.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 74.51 110.983 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -74.03 123.0 23.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 74.43 110.925 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -136.23 158.26 44.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 74.23 110.808 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.82 115.71 1.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 74.01 110.885 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -126.22 152.73 45.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 65.42 110.898 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -79.76 104.53 10.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 72.11 110.957 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -92.18 146.79 23.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 75.13 111.159 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 72.2 110.898 -179.91 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.477 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.808 0.337 . . . . 73.21 110.908 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -135.76 145.89 47.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 70.05 110.895 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.565 ' N ' HG22 ' A' ' 28' ' ' THR . 46.2 t -72.38 117.64 60.6 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.57 0.7 . . . . 62.05 110.878 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.617 ' HD3' HG22 ' A' ' 29' ' ' VAL . 53.7 Cg_endo -69.83 -5.44 16.25 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.679 2.253 . . . . 75.01 112.321 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.49 -43.83 7.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 41.45 110.89 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.7 m -109.24 -56.8 2.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 65.13 110.9 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.07 25.06 2.34 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 60.5 112.503 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 15' ' ' TYR . 8.8 tp -91.24 133.86 35.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.763 0.316 . . . . 71.35 110.922 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.466 ' N ' HD12 ' A' ' 14' ' ' LEU . 49.7 m-85 -87.47 146.7 25.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 65.34 110.901 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.402 HG22 HG21 ' A' ' 28' ' ' THR . 10.2 t -175.6 166.8 3.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 72.04 111.137 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 mt -116.23 14.41 15.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 75.33 110.919 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -92.65 -0.34 57.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 74.31 110.91 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.434 ' O ' HD13 ' A' ' 20' ' ' ILE . 3.1 mt-10 62.53 11.04 4.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 75.11 110.928 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.64 HD13 ' HA ' ' A' ' 27' ' ' LYS . 28.8 mm -144.01 145.42 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 72.41 111.134 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.1 t -90.1 111.06 44.65 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.611 0.72 . . . . 63.2 110.918 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -6.81 19.5 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.676 2.251 . . . . 64.04 112.345 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.01 -60.23 2.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 75.33 110.877 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.2 p -102.67 -36.12 8.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 71.33 110.888 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.02 27.83 4.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 61.21 112.473 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -109.28 138.03 46.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.901 0.381 . . . . 63.3 110.865 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.64 ' HA ' HD13 ' A' ' 20' ' ' ILE . 10.8 mtmm -50.88 143.39 10.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 74.32 110.905 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.565 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.0 OUTLIER -92.18 150.68 20.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 73.22 111.132 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.617 HG22 ' HD3' ' A' ' 10' ' ' PRO . 12.4 m -129.17 156.89 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 61.45 111.157 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.477 HD13 ' HB3' ' A' ' 7' ' ' LYS . 37.8 mm -63.4 113.22 8.91 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.654 0.74 . . . . 74.32 111.116 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.69 2.26 . . . . 73.04 112.377 179.879 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 12.7 m95 . . . . . 0 C--O 1.23 0.03 0 CA-C-O 120.84 0.352 . . . . 73.42 110.946 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.51 -87.42 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 62.24 112.47 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -52.97 -28.86 25.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 65.15 110.949 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -53.98 -28.27 36.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 75.43 110.957 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.8 ttt-85 -52.66 -32.29 41.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 73.52 110.836 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.1 mmm-85 -61.29 -32.86 72.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 74.14 110.896 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 6.4 ttm -115.52 25.54 10.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 45.22 110.892 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.8 tt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.919 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.621 ' HB3' HD13 ' A' ' 30' ' ' ILE . 7.8 ptmt . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.819 0.342 . . . . 71.44 110.936 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -145.54 148.78 33.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 64.2 110.885 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.591 ' N ' HG22 ' A' ' 28' ' ' THR . 48.0 t -72.53 116.47 49.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.647 0.737 . . . . 64.4 110.868 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.637 ' HD3' HG22 ' A' ' 29' ' ' VAL . 54.4 Cg_endo -69.74 -6.07 17.7 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.72 2.28 . . . . 65.03 112.368 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -95.09 -45.1 7.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 74.34 110.915 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.9 m -107.4 -56.75 2.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 73.02 110.876 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.96 26.62 2.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.787 -0.72 . . . . 74.23 112.432 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 15' ' ' TYR . 8.9 tp -90.79 132.84 35.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 75.1 110.92 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.455 ' N ' HD12 ' A' ' 14' ' ' LEU . 28.9 m-85 -84.85 143.39 29.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 72.42 110.993 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.5 t -175.17 175.15 2.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 54.45 111.124 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 mt -126.54 7.67 6.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 64.33 110.965 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -83.88 -0.16 50.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 73.41 110.888 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.437 ' O ' HD13 ' A' ' 20' ' ' ILE . 5.5 mt-10 63.06 10.44 4.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 64.01 110.925 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.669 HD13 ' HA ' ' A' ' 27' ' ' LYS . 30.6 mm -144.1 144.9 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 64.5 111.143 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.5 t -89.98 111.02 44.18 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.553 0.692 . . . . 44.31 110.907 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -6.61 19.01 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.675 2.25 . . . . 72.32 112.353 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.84 -60.92 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 74.54 110.96 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.6 p -100.92 -35.87 9.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 71.52 110.933 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.44 28.49 5.13 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.76 -0.733 . . . . 63.44 112.506 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -110.49 138.01 47.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 73.32 110.903 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.669 ' HA ' HD13 ' A' ' 20' ' ' ILE . 26.4 ttpt -50.52 142.76 10.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 72.53 110.938 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.591 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.0 OUTLIER -91.91 159.46 15.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 72.33 111.136 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.637 HG22 ' HD3' ' A' ' 10' ' ' PRO . 13.4 m -136.03 154.79 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 44.11 111.191 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.621 HD13 ' HB3' ' A' ' 7' ' ' LYS . 30.5 mm -63.93 113.03 8.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.661 0.743 . . . . 64.43 111.083 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.175 0 C-N-CA 122.714 2.276 . . . . 64.23 112.286 179.879 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 32.7 m95 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.8 0.333 . . . . 71.21 110.884 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.2 -87.2 0.19 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 72.35 112.476 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -51.88 -31.75 29.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.32 . . . . 65.33 110.893 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -77.57 -33.29 54.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 60.15 110.886 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.7 tpp85 -58.9 -31.05 68.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 64.14 110.915 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -57.03 -32.98 66.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 72.34 110.87 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.7 mtm -96.7 -29.26 13.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 70.22 110.851 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 49' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 62.15 110.904 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.811 0.338 . . . . 65.41 110.938 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -134.68 147.33 50.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 62.02 110.865 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.555 ' N ' HG22 ' A' ' 28' ' ' THR . 48.7 t -71.93 117.26 56.38 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.631 0.729 . . . . 61.11 110.873 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.4 ' HD3' HG22 ' A' ' 29' ' ' VAL . 53.9 Cg_endo -69.71 -5.84 17.15 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.644 2.229 . . . . 64.01 112.329 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.43 -43.26 7.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 73.23 110.865 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.7 m -107.99 -57.18 2.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 63.33 110.885 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.02 21.51 3.14 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.68 -0.771 . . . . 62.33 112.493 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 15' ' ' TYR . 8.8 tp -87.53 133.65 33.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.764 0.316 . . . . 74.25 110.968 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.466 ' N ' HD12 ' A' ' 14' ' ' LEU . 44.7 m-85 -87.35 147.84 25.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.025 0.441 . . . . 72.34 110.919 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.7 t -175.16 175.68 2.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 63.21 111.149 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 mt -122.68 1.45 9.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 73.43 110.9 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -80.29 -1.1 39.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.904 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 63.22 10.29 4.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.412 . . . . 71.44 110.899 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.669 HD13 ' HA ' ' A' ' 27' ' ' LYS . 26.5 mm -143.06 145.73 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 74.53 111.072 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.8 t -88.71 111.34 43.6 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.609 0.719 . . . . 43.51 110.887 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -7.56 21.39 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 73.25 112.368 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.75 -60.54 2.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 72.44 110.855 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.1 p -103.08 -36.75 8.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.274 -0.421 . . . . 75.53 110.899 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.04 28.33 4.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.741 . . . . 73.21 112.501 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -107.87 136.52 47.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.96 0.409 . . . . 74.01 110.89 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.669 ' HA ' HD13 ' A' ' 20' ' ' ILE . 20.5 mttp -51.4 139.59 19.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.496 . . . . 73.11 110.867 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.555 HG22 ' N ' ' A' ' 9' ' ' CYS . 4.6 p -91.24 156.76 17.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 42.5 111.197 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.4 HG22 ' HD3' ' A' ' 10' ' ' PRO . 15.1 m -130.8 153.24 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 61.01 111.177 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.8 mm -60.99 112.25 5.45 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.636 0.731 . . . . 73.13 111.13 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.735 2.29 . . . . 72.22 112.306 179.89 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 14.7 m95 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.854 0.359 . . . . 75.13 110.931 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.11 -29.13 27.86 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 43.53 112.445 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -88.45 -25.67 22.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.728 0.299 . . . . 65.33 110.859 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -52.99 -28.83 25.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 52.3 110.94 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -52.4 -33.24 42.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 73.44 110.869 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -58.53 -31.78 68.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.275 -0.42 . . . . 73.33 110.885 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.2 tpt -97.71 -26.24 14.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 72.13 110.884 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.49 ' O ' HD23 ' A' ' 49' ' ' LEU . 2.3 tt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 65.33 110.916 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.8 0.333 . . . . 71.33 110.897 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -144.07 148.93 35.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 74.02 110.942 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.674 ' N ' HG22 ' A' ' 28' ' ' THR . 48.2 t -72.76 116.55 51.14 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.619 0.724 . . . . 71.13 110.903 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.542 ' HD3' HG22 ' A' ' 29' ' ' VAL . 54.0 Cg_endo -69.67 -6.08 17.7 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.714 2.276 . . . . 74.23 112.304 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -94.82 -46.0 7.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 62.34 110.913 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.4 m -106.52 -56.51 2.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 74.24 110.839 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.17 29.09 1.7 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 72.34 112.476 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.483 HD12 ' N ' ' A' ' 15' ' ' TYR . 8.0 tp -94.17 133.21 37.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 55.1 110.909 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.483 ' N ' HD12 ' A' ' 14' ' ' LEU . 27.5 m-85 -84.48 144.42 28.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 71.11 110.924 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.9 t -174.71 175.04 2.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 71.14 111.145 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 mt -125.32 2.86 7.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 73.22 110.883 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -79.07 -1.44 35.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 54.41 110.881 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 65.31 7.99 4.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 74.05 110.861 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.711 HD13 ' HA ' ' A' ' 27' ' ' LYS . 27.3 mm -143.56 145.66 22.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 53.21 111.162 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.3 t -86.7 111.73 41.91 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.564 0.697 . . . . 74.32 110.921 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -6.1 17.79 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.653 2.236 . . . . 62.04 112.405 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.32 -61.63 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 74.24 110.929 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.5 p -99.95 -36.14 9.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 64.22 110.87 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.3 29.48 5.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 73.51 112.438 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -109.8 139.13 45.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.913 0.387 . . . . 74.31 110.85 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.711 ' HA ' HD13 ' A' ' 20' ' ' ILE . 0.7 OUTLIER -50.79 140.52 14.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 74.34 110.897 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.674 HG22 ' N ' ' A' ' 9' ' ' CYS . 0.9 OUTLIER -92.37 158.63 15.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 55.13 111.172 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.542 HG22 ' HD3' ' A' ' 10' ' ' PRO . 14.8 m -135.93 160.25 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 71.03 111.164 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.9 mm -64.88 113.38 10.77 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.656 0.741 . . . . 75.35 111.072 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.166 0 C-N-CA 122.719 2.279 . . . . 73.51 112.322 179.855 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 25.0 m0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.748 0.309 . . . . 72.25 110.887 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.7 -89.19 0.15 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 50.03 112.533 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -51.8 -32.38 31.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.795 0.331 . . . . 74.23 110.896 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -84.39 -32.31 24.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 73.31 110.945 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -60.32 -26.53 66.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 75.5 110.873 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.7 tpt85 -52.04 -39.05 58.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 65.44 110.906 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.5 mmt -101.59 -32.02 10.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 72.11 110.886 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.448 ' O ' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 73.02 110.899 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.59 ' HB3' HD13 ' A' ' 30' ' ' ILE . 8.8 ptmt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.844 0.354 . . . . 74.14 110.88 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -144.47 149.2 35.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 73.02 110.88 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.574 ' N ' HG22 ' A' ' 28' ' ' THR . 48.5 t -72.15 116.73 51.79 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.619 0.723 . . . . 63.33 110.941 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.642 ' HD3' HG22 ' A' ' 29' ' ' VAL . 52.7 Cg_endo -69.83 -5.71 16.91 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.628 2.219 . . . . 64.34 112.313 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -95.54 -44.74 7.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.843 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.2 m -107.89 -56.65 2.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 75.25 110.926 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.39 30.94 1.33 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.689 -0.767 . . . . 73.12 112.481 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.438 HD12 ' N ' ' A' ' 15' ' ' TYR . 7.3 tp -96.98 129.31 44.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.773 0.32 . . . . 51.51 110.905 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.438 ' N ' HD12 ' A' ' 14' ' ' LEU . 49.7 m-85 -81.16 146.51 30.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 64.04 110.945 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.464 HG22 HG21 ' A' ' 28' ' ' THR . 15.2 t -175.24 179.94 1.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 51.31 111.148 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mt -130.09 2.76 4.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 71.42 110.917 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.96 -0.62 40.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 62.33 110.912 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.44 ' O ' HD13 ' A' ' 20' ' ' ILE . 7.4 mt-10 63.34 10.6 4.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 71.14 110.882 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.663 HD13 ' HA ' ' A' ' 27' ' ' LYS . 29.3 mm -143.94 144.61 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 72.52 111.136 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.6 t -88.5 111.6 44.81 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.573 0.701 . . . . 72.43 110.913 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -6.54 18.83 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.706 2.27 . . . . 60.32 112.338 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.69 -61.84 1.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 74.43 110.86 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.0 p -99.74 -36.45 9.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 61.43 110.824 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.99 28.03 5.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.786 -0.721 . . . . 71.24 112.452 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -109.59 137.7 47.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.905 0.383 . . . . 62.41 110.947 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.663 ' HA ' HD13 ' A' ' 20' ' ' ILE . 24.2 ttpt -50.5 142.48 10.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 64.42 110.868 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.574 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.1 p -91.4 158.78 16.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 74.33 111.167 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.642 HG22 ' HD3' ' A' ' 10' ' ' PRO . 15.1 m -135.8 154.34 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 70.1 111.172 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.59 HD13 ' HB3' ' A' ' 7' ' ' LYS . 30.5 mm -63.56 112.9 8.09 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.595 0.712 . . . . 62.33 111.165 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.221 0 C-N-CA 122.724 2.283 . . . . 52.24 112.312 179.899 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.6 m95 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.837 0.351 . . . . 75.15 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.94 -84.45 0.3 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.795 -0.717 . . . . 21.13 112.43 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -31.37 47.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.808 0.337 . . . . 74.54 110.874 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -60.45 -27.07 67.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 54.41 110.825 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 -52.25 -32.86 38.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 73.51 110.893 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.0 mtt-85 -59.47 -34.04 72.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 74.55 110.905 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.4 mtm -103.95 25.83 9.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 63.35 110.842 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.3 tt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 75.43 110.956 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.611 ' HB3' HD13 ' A' ' 30' ' ' ILE . 9.0 ptmt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.856 0.36 . . . . 62.2 110.932 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -145.81 149.24 33.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 71.12 110.931 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.552 ' N ' HG22 ' A' ' 28' ' ' THR . 48.9 t -72.36 116.71 52.01 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.613 0.72 . . . . 63.15 110.857 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.656 ' HD3' HG22 ' A' ' 29' ' ' VAL . 54.1 Cg_endo -69.72 -6.25 18.13 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.705 2.27 . . . . 42.41 112.366 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.45 -43.93 7.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 61.44 110.879 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.9 m -108.36 -57.0 2.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 73.43 110.967 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.5 30.66 1.37 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 54.33 112.531 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.441 HD12 ' N ' ' A' ' 15' ' ' TYR . 7.6 tp -96.47 129.74 43.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 71.34 110.892 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.441 ' N ' HD12 ' A' ' 14' ' ' LEU . 50.1 m-85 -81.51 146.21 30.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 72.31 110.877 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.444 HG22 HG21 ' A' ' 28' ' ' THR . 15.2 t -175.37 -179.96 1.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 72.14 111.15 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mt -130.45 3.26 4.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 54.54 110.929 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -0.05 39.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 61.22 110.869 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.446 ' O ' HD13 ' A' ' 20' ' ' ILE . 6.7 mt-10 63.05 10.7 4.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 63.42 110.863 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.654 HD13 ' HA ' ' A' ' 27' ' ' LYS . 29.1 mm -143.96 144.99 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 74.02 111.143 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.2 t -89.44 111.3 44.79 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.645 0.735 . . . . 74.25 110.854 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 -6.91 19.67 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.756 2.304 . . . . 74.4 112.377 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.78 -61.39 1.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 55.32 110.883 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.7 p -100.37 -35.97 9.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 63.14 110.906 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.58 28.57 5.06 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.808 -0.711 . . . . 65.24 112.543 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -110.79 138.01 47.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.959 0.409 . . . . 74.05 110.889 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.654 ' HA ' HD13 ' A' ' 20' ' ' ILE . 22.3 ttpp -49.95 144.41 6.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 64.14 110.907 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.552 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.1 p -93.42 159.82 15.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 62.14 111.176 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.656 HG22 ' HD3' ' A' ' 10' ' ' PRO . 16.1 m -136.69 154.28 31.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 65.54 111.151 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.611 HD13 ' HB3' ' A' ' 7' ' ' LYS . 30.2 mm -64.19 112.86 8.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.636 0.731 . . . . 51.31 111.112 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo . . . . . 0 C--N 1.342 0.186 0 C-N-CA 122.639 2.226 . . . . 74.44 112.338 179.89 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.866 0.365 . . . . 70.32 110.989 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.23 -85.35 0.24 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.792 -0.718 . . . . 63.2 112.504 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.2 ptmm? -51.69 -30.18 21.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.792 0.33 . . . . 73.41 110.873 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -54.61 -27.13 37.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.424 . . . . 72.24 110.856 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.3 ppt_? -52.03 -32.92 36.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 63.32 110.816 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -57.18 -33.94 67.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 75.2 110.822 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -100.6 24.42 9.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 73.24 110.902 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.46 ' O ' HD23 ' A' ' 49' ' ' LEU . 2.9 tt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 72.43 110.935 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.96 0.41 . . . . 71.31 110.851 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -134.44 148.46 50.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 74.42 110.915 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.493 ' N ' HG22 ' A' ' 28' ' ' THR . 49.1 t -72.28 116.95 54.26 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.687 0.756 . . . . 74.01 110.861 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.82 -5.73 16.94 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.729 2.286 . . . . 64.31 112.267 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -96.69 -43.02 7.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 63.44 111.008 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.0 m -108.18 -57.24 2.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 64.15 110.813 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.44 26.22 2.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 43.24 112.467 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.471 HD12 ' N ' ' A' ' 15' ' ' TYR . 8.1 tp -92.88 132.41 37.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.799 0.333 . . . . 75.41 110.983 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.471 ' N ' HD12 ' A' ' 14' ' ' LEU . 54.0 m-85 -84.86 147.66 26.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 73.31 110.914 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.2 t -175.19 174.63 2.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 74.12 111.135 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mt -121.53 1.09 10.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 65.24 110.944 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -79.83 -1.82 40.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 63.23 110.881 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 63.56 9.98 4.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 72.23 110.898 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.719 HD13 ' HA ' ' A' ' 27' ' ' LYS . 27.4 mm -144.02 143.55 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 62.42 111.202 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.5 t -84.17 112.38 40.73 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.568 0.699 . . . . 73.33 110.884 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.86 -6.51 18.81 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.623 2.216 . . . . 55.2 112.333 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.56 -60.18 2.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 61.11 110.869 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.0 p -103.12 -37.71 7.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 75.32 110.914 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.19 29.18 4.64 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.783 -0.722 . . . . 30.23 112.456 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -105.27 137.4 43.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 74.12 110.885 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.719 ' HA ' HD13 ' A' ' 20' ' ' ILE . 0.1 OUTLIER -51.79 134.35 30.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.46 . . . . 74.22 110.915 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.493 HG22 ' N ' ' A' ' 9' ' ' CYS . 5.7 p -87.77 159.12 18.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 63.25 111.118 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.4 m -134.6 153.26 34.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 64.31 111.097 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.1 mm -61.68 112.46 6.14 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.628 0.728 . . . . 64.34 111.134 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.633 2.222 . . . . 51.42 112.304 179.931 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 10.2 m-90 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.754 0.311 . . . . 75.43 110.879 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.57 -84.88 0.27 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.68 -0.771 . . . . 34.11 112.521 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.3 ptmm? -51.71 -32.34 29.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 71.3 110.847 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -73.96 -36.49 64.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 71.42 110.925 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -63.32 -32.24 73.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 64.13 110.841 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -60.42 -30.76 69.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 64.33 110.852 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 29.7 mmt -98.43 -29.6 13.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 72.24 110.818 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.49 ' O ' HD13 ' A' ' 49' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 54.34 110.858 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.667 ' HB3' HD13 ' A' ' 30' ' ' ILE . 8.2 ptmt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.919 0.39 . . . . 73.25 110.859 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -143.7 148.58 35.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 63.33 110.854 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.615 ' N ' HG22 ' A' ' 28' ' ' THR . 44.6 t -72.28 117.12 55.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.566 0.698 . . . . 71.13 110.882 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.546 ' HD3' HG22 ' A' ' 29' ' ' VAL . 53.9 Cg_endo -69.72 -5.89 17.26 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.676 2.251 . . . . 61.24 112.311 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.88 -41.94 8.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 74.51 110.932 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.3 m -111.4 -56.96 2.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 73.34 110.889 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.95 28.78 1.63 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.791 -0.719 . . . . 71.12 112.522 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.471 HD12 ' N ' ' A' ' 15' ' ' TYR . 7.0 tp -94.06 131.27 39.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 53.42 110.897 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.471 ' N ' HD12 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -81.52 146.17 30.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 74.34 110.931 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.477 HG22 HG21 ' A' ' 28' ' ' THR . 15.3 t -175.37 176.28 2.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 75.34 111.167 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 mt -127.09 3.5 6.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 54.13 110.891 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.8 mtmt -82.5 0.54 42.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 75.41 110.867 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.404 ' O ' HD13 ' A' ' 20' ' ' ILE . 6.0 mt-10 62.07 11.71 4.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 73.31 110.975 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.702 HD13 ' HA ' ' A' ' 27' ' ' LYS . 30.3 mm -144.43 144.18 22.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.091 -0.504 . . . . 72.44 111.132 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.6 t -88.72 111.41 44.09 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.659 0.743 . . . . 72.32 110.86 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -6.67 19.19 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.664 2.243 . . . . 74.4 112.278 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 -60.9 2.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 71.51 110.89 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.9 p -101.83 -36.21 8.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 62.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.58 27.57 5.17 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.781 -0.723 . . . . 73.31 112.514 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -108.03 135.7 48.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.917 0.389 . . . . 73.12 110.882 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.702 ' HA ' HD13 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -50.52 140.09 14.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 64.41 110.95 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.615 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.2 p -89.48 158.35 17.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 54.1 111.132 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.546 HG22 ' HD3' ' A' ' 10' ' ' PRO . 15.1 m -135.75 153.63 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 65.1 111.154 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.667 HD13 ' HB3' ' A' ' 7' ' ' LYS . 29.0 mm -62.96 112.54 6.96 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.588 0.709 . . . . 61.03 111.115 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.165 0 C-N-CA 122.708 2.272 . . . . 65.23 112.343 179.877 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.1 m0 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.79 0.329 . . . . 75.54 110.857 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.81 -31.8 79.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.781 -0.724 . . . . 41.1 112.502 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -87.75 -30.37 20.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.784 0.326 . . . . 61.14 110.87 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -52.85 -29.16 26.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 71.31 110.918 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.1 ttp85 -52.5 -34.42 49.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 53.32 110.876 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -62.22 -34.22 76.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 63.34 110.917 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.9 mmt -101.8 25.43 8.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.856 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.1 tp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 73.52 110.908 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.651 ' HB3' HD13 ' A' ' 30' ' ' ILE . 7.1 ptmt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.828 0.347 . . . . 73.52 110.874 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -144.26 148.34 34.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 72.45 110.94 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.613 ' N ' HG22 ' A' ' 28' ' ' THR . 48.6 t -72.53 116.75 52.75 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.657 0.741 . . . . 72.31 110.855 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.641 ' HD3' HG22 ' A' ' 29' ' ' VAL . 53.4 Cg_endo -69.79 -5.77 17.03 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.71 2.273 . . . . 74.05 112.341 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -95.96 -43.74 7.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 75.41 110.852 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.7 m -108.62 -57.18 2.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.901 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.61 24.91 2.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.821 -0.704 . . . . 43.11 112.474 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 15' ' ' TYR . 8.7 tp -89.88 132.48 35.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 44.54 110.875 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.455 ' N ' HD12 ' A' ' 14' ' ' LEU . 33.1 m-85 -85.02 144.54 28.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 75.1 110.897 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.4 t -175.36 173.32 2.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 72.34 111.111 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 mt -124.16 9.7 8.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 75.45 110.868 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -86.73 -0.23 55.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 71.44 110.923 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.432 ' O ' HD13 ' A' ' 20' ' ' ILE . 6.2 mt-10 62.75 11.05 4.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 63.24 110.834 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.665 HD13 ' HA ' ' A' ' 27' ' ' LYS . 29.9 mm -144.28 144.3 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 54.03 111.092 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.5 t -89.72 111.05 43.83 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.594 0.711 . . . . 73.52 110.918 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.69 -7.03 20.0 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.727 2.285 . . . . 71.13 112.386 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.28 -61.43 1.9 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 73.1 110.851 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.1 p -100.38 -35.85 9.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 51.34 110.906 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.37 29.12 4.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 53.34 112.496 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -111.21 138.29 47.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.914 0.388 . . . . 74.4 110.936 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.665 ' HA ' HD13 ' A' ' 20' ' ' ILE . 27.5 mttt -50.92 142.34 11.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 72.23 110.956 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.613 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.0 OUTLIER -91.89 158.72 16.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 75.33 111.096 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.641 HG22 ' HD3' ' A' ' 10' ' ' PRO . 16.5 m -134.64 154.91 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 74.55 111.136 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.651 HD13 ' HB3' ' A' ' 7' ' ' LYS . 29.6 mm -64.31 113.03 8.99 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.635 0.731 . . . . 63.13 111.097 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.464 -0.213 0 C-N-CA 122.654 2.236 . . . . 74.41 112.357 179.879 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.7 m0 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.796 0.332 . . . . 70.14 110.928 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.07 -30.86 74.72 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.737 -0.744 . . . . 55.43 112.552 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -83.94 -28.9 27.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.761 0.315 . . . . 74.11 110.867 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -60.01 -24.92 64.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 65.42 110.965 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.36 -67.78 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 73.14 110.837 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.84 -22.95 59.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 74.14 110.878 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.1 mmt -95.81 25.39 4.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 72.35 110.941 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 tt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 75.32 110.968 -179.983 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.641 ' HB3' HD13 ' A' ' 30' ' ' ILE . 9.8 ptmt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.817 0.341 . . . . 73.35 110.911 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -143.79 149.3 36.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 75.11 110.912 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.541 ' N ' HG22 ' A' ' 28' ' ' THR . 46.7 t -72.46 117.37 58.37 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.564 0.697 . . . . 65.43 110.927 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.631 ' HD3' HG22 ' A' ' 29' ' ' VAL . 54.4 Cg_endo -69.78 -5.42 16.18 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.633 2.222 . . . . 72.53 112.372 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -96.71 -42.8 7.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 73.44 110.89 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.5 m -110.08 -56.74 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 74.42 110.916 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.72 31.51 1.33 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.707 -0.758 . . . . 65.33 112.423 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.458 HD12 ' N ' ' A' ' 15' ' ' TYR . 7.4 tp -96.42 130.39 43.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.873 0.368 . . . . 64.32 110.954 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.458 ' N ' HD12 ' A' ' 14' ' ' LEU . 2.5 m-85 -81.21 145.99 30.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 70.11 110.897 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.444 HG22 HG21 ' A' ' 28' ' ' THR . 15.2 t -176.05 -178.93 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.059 -0.518 . . . . 72.15 111.138 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.7 mt -132.01 3.53 4.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 73.22 110.914 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -80.94 -0.45 39.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 75.22 110.915 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.438 ' O ' HD13 ' A' ' 20' ' ' ILE . 7.0 mt-10 63.17 10.5 4.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 74.52 110.891 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.637 HD13 ' HA ' ' A' ' 27' ' ' LYS . 28.2 mm -143.91 144.02 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 53.15 111.122 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.9 t -88.33 111.79 45.67 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.595 0.712 . . . . 55.25 110.883 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -7.04 20.01 Favored 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.702 2.268 . . . . 71.43 112.399 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -82.58 -61.71 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 74.12 110.879 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.5 p -100.56 -36.56 9.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.26 -0.427 . . . . 43.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.85 27.68 5.06 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.741 -0.742 . . . . 71.11 112.503 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -108.79 138.37 45.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.89 0.376 . . . . 75.51 110.899 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.637 ' HA ' HD13 ' A' ' 20' ' ' ILE . 10.5 mtmt -51.5 141.7 15.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 64.41 110.913 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.541 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.2 p -90.29 159.92 16.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 64.14 111.167 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.631 HG22 ' HD3' ' A' ' 10' ' ' PRO . 16.3 m -137.02 153.59 29.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 72.34 111.145 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.641 HD13 ' HB3' ' A' ' 7' ' ' LYS . 30.0 mm -64.1 113.01 8.75 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.567 0.698 . . . . 72.13 111.181 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.153 0 C-N-CA 122.652 2.234 . . . . 74.55 112.338 179.911 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 15.9 m95 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.728 0.299 . . . . 75.51 110.851 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.41 -28.81 29.25 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.679 -0.772 . . . . 43.05 112.464 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -85.17 -27.8 25.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.341 . . . . 73.54 110.922 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -53.59 -28.4 31.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 72.41 110.927 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -52.28 -32.81 39.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 73.34 110.822 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 43.5 mtm-85 -55.15 -33.54 63.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 75.45 110.909 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -76.43 -31.58 57.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 52.41 110.87 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.421 . . . . 73.23 110.928 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.451 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.859 0.362 . . . . 64.21 110.93 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -139.61 147.73 41.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 73.33 110.875 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.711 ' N ' HG22 ' A' ' 28' ' ' THR . 49.0 t -71.76 117.2 55.56 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.59 0.71 . . . . 43.14 110.884 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -5.38 16.08 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.681 2.254 . . . . 73.43 112.366 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -97.23 -43.15 7.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 63.41 110.912 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.2 m -108.26 -57.22 2.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 60.45 110.918 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.98 24.79 2.42 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 33.31 112.489 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 15' ' ' TYR . 7.7 tp -91.76 132.29 36.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 73.24 110.979 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.476 ' N ' HD12 ' A' ' 14' ' ' LEU . 57.4 m-85 -84.35 147.85 26.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 72.5 110.886 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.525 HG22 HG21 ' A' ' 28' ' ' THR . 14.3 t -175.13 175.4 2.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.039 -0.528 . . . . 72.42 111.13 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 mt -123.8 3.64 8.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 75.1 110.893 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -82.67 -2.31 53.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 54.12 110.904 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 62.3 11.38 4.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 74.42 110.83 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.615 HD13 ' HA ' ' A' ' 27' ' ' LYS . 32.6 mm -145.07 133.64 17.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 64.14 111.118 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.9 t -74.34 114.56 34.74 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.583 0.706 . . . . 61.4 110.881 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 -7.08 20.15 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.637 2.225 . . . . 75.03 112.356 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -85.27 -60.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 75.13 110.861 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.8 p -104.16 -39.94 6.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 71.51 110.833 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.571 ' O ' HG23 ' A' ' 20' ' ' ILE . . . 124.57 -26.05 5.8 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.777 -0.725 . . . . 25.02 112.472 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -49.95 137.5 16.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.876 0.37 . . . . 75.11 110.894 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.615 ' HA ' HD13 ' A' ' 20' ' ' ILE . 12.8 mtmm -60.26 145.12 48.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 61.45 110.866 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.711 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.0 OUTLIER -91.31 147.7 22.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 74.23 111.147 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.7 m -126.65 147.76 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 73.43 111.087 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.451 HD13 ' HB3' ' A' ' 7' ' ' LYS . 44.4 mm -60.92 112.19 5.32 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 64.24 111.136 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.169 0 C-N-CA 122.721 2.281 . . . . 73.11 112.319 179.915 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.7 m0 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.747 0.308 . . . . 71.32 110.916 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.37 -30.85 49.97 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.688 -0.767 . . . . 64.33 112.572 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -80.42 -28.56 37.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.744 0.307 . . . . 72.34 110.871 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -57.22 -24.25 53.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.268 -0.424 . . . . 63.12 110.874 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -52.02 -68.73 0.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 72.2 110.8 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.6 ptp85 -53.49 -41.62 66.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 74.2 110.908 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.4 mmt -57.4 -23.8 51.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 64.54 110.861 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.629 ' O ' HD23 ' A' ' 49' ' ' LEU . 3.4 tt . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.956 0.408 . . . . 72.21 110.935 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.401 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.839 0.352 . . . . 60.42 110.866 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -138.23 148.86 45.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 72.32 110.906 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.736 ' N ' HG22 ' A' ' 28' ' ' THR . 48.8 t -72.1 116.58 50.11 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.608 0.718 . . . . 73.41 110.865 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -5.24 15.72 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.681 2.254 . . . . 74.25 112.328 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -96.59 -44.67 7.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 64.23 110.883 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.3 m -107.29 -56.74 2.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.252 -0.431 . . . . 64.43 110.904 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.36 27.13 2.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.699 -0.762 . . . . 65.31 112.508 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 15' ' ' TYR . 7.8 tp -92.33 132.77 36.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.836 0.35 . . . . 72.4 110.919 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.481 ' N ' HD12 ' A' ' 14' ' ' LEU . 34.4 m-85 -83.87 145.65 28.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 74.43 110.938 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.478 HG22 HG21 ' A' ' 28' ' ' THR . 15.1 t -175.23 176.52 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.5 . . . . 61.22 111.176 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 mt -126.33 3.42 7.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 61.42 110.898 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -81.13 -2.12 47.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 71.23 110.876 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 62.42 11.11 4.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 62.31 110.892 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.614 HD13 ' HA ' ' A' ' 27' ' ' LYS . 32.6 mm -145.15 133.47 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 73.14 111.184 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.7 t -74.52 114.84 37.85 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.643 0.735 . . . . 73.33 110.83 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.45 ' HD2' HD23 ' A' ' 14' ' ' LEU . 54.4 Cg_endo -69.72 -6.96 19.82 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.649 2.233 . . . . 73.32 112.364 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.03 -60.32 2.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 74.41 110.905 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.2 p -104.82 -39.93 6.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 63.21 110.911 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.564 ' O ' HG23 ' A' ' 20' ' ' ILE . . . 124.08 -26.76 5.78 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.794 -0.717 . . . . 74.12 112.469 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -49.14 133.65 18.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.943 0.401 . . . . 75.53 110.916 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.614 ' HA ' HD13 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -57.12 145.37 31.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 71.34 110.874 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.736 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.0 OUTLIER -91.75 150.2 21.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 43.13 111.05 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.9 m -129.16 149.72 33.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 64.12 111.081 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.401 HD13 ' HB3' ' A' ' 7' ' ' LYS . 45.4 mm -61.25 112.17 5.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.594 0.712 . . . . 64.14 111.066 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.17 0 C-N-CA 122.657 2.238 . . . . 71.45 112.377 179.852 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 7.6 m95 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.794 0.331 . . . . 75.52 110.839 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.52 -84.79 0.26 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.786 -0.721 . . . . 62.44 112.488 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.8 pttt -52.34 -29.82 25.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.351 . . . . 74.3 110.904 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -57.34 -28.22 62.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 70.41 110.922 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -52.03 -42.81 63.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 73.53 110.871 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -67.11 -42.59 84.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 74.22 110.874 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -23.3 67.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 72.54 110.861 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.521 ' O ' HD23 ' A' ' 49' ' ' LEU . 4.8 tt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.929 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.847 0.356 . . . . 62.32 110.872 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -136.88 145.59 44.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 63.43 110.912 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.666 ' N ' HG22 ' A' ' 28' ' ' THR . 45.8 t -72.12 116.7 51.34 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-O 121.618 0.723 . . . . 44.32 110.875 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.478 ' HD3' HG22 ' A' ' 29' ' ' VAL . 53.5 Cg_endo -69.72 -5.41 16.13 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.765 2.31 . . . . 73.45 112.284 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -96.58 -41.93 8.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 71.32 110.92 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.2 m -111.61 -57.07 2.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 74.52 110.869 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.93 26.86 2.0 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 52.23 112.41 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.484 HD12 ' N ' ' A' ' 15' ' ' TYR . 8.3 tp -91.58 134.97 34.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 73.31 110.901 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.484 ' N ' HD12 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -85.27 144.14 28.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 71.13 110.973 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.494 HG22 HG21 ' A' ' 28' ' ' THR . 13.2 t -175.25 170.4 3.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 64.54 111.16 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mt -120.04 2.18 10.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 72.4 110.92 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -78.86 -3.17 43.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.93 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 63.9 9.64 4.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 63.13 110.808 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.599 HD13 ' HA ' ' A' ' 27' ' ' LYS . 26.9 mm -144.1 137.07 23.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 73.24 111.136 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.2 t -78.29 114.02 39.01 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.662 0.744 . . . . 72.04 110.879 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.439 ' HD2' HD23 ' A' ' 14' ' ' LEU . 53.6 Cg_endo -69.74 -6.74 19.3 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.727 2.284 . . . . 74.21 112.361 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.23 -60.31 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 75.02 110.975 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.7 p -103.37 -39.38 6.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 64.15 110.893 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.532 ' O ' HG23 ' A' ' 20' ' ' ILE . . . 123.1 -25.94 6.25 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 73.31 112.547 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -51.34 142.72 12.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.953 0.406 . . . . 74.22 110.855 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.599 ' HA ' HD13 ' A' ' 20' ' ' ILE . 12.3 mtmt -65.61 144.46 56.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 75.11 110.88 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.666 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.1 p -87.48 151.31 23.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.277 -0.42 . . . . 74.32 111.133 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.478 HG22 ' HD3' ' A' ' 10' ' ' PRO . 13.7 m -131.18 159.91 42.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 71.04 111.146 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.9 mm -62.96 113.12 8.24 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.664 0.745 . . . . 65.12 111.165 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.233 0.248 0 C-N-CA 122.631 2.22 . . . . 62.55 112.332 179.904 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 5.9 m95 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.828 0.347 . . . . 73.42 110.968 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.34 -85.28 0.25 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 71.34 112.509 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -51.87 -30.21 22.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.776 0.322 . . . . 74.35 110.867 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -52.63 -35.2 54.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 71.52 110.898 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.612 ' O ' HD23 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -59.24 -44.51 92.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 42.14 110.859 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -38.99 70.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 73.13 110.826 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.1 tpt -111.52 35.54 3.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 73.01 110.936 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 46' ' ' ARG . 1.6 pp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 43.32 110.945 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.901 0.381 . . . . 72.11 110.864 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -147.39 148.41 31.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 63.33 110.922 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.8 t -72.57 118.31 66.66 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.663 0.744 . . . . 70.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.62 ' HD3' HG22 ' A' ' 29' ' ' VAL . 53.7 Cg_endo -69.84 -5.65 16.77 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.629 2.219 . . . . 72.11 112.361 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.42 -46.9 5.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 64.3 110.842 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.2 m -102.98 -56.38 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 61.42 110.864 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 117.01 30.03 2.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 75.33 112.49 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 15' ' ' TYR . 6.0 tp -95.66 131.7 41.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.836 0.351 . . . . 71.12 110.892 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.455 ' N ' HD12 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -81.61 149.81 28.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 43.22 110.941 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -175.92 -179.3 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 62.34 111.157 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mt -131.92 3.32 4.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 53.31 111.005 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -84.51 2.37 41.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 74.33 110.846 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.454 ' O ' HD13 ' A' ' 20' ' ' ILE . 2.3 mt-10 60.67 13.36 4.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 74.23 110.842 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.749 HD13 ' HA ' ' A' ' 27' ' ' LYS . 30.0 mm -143.74 145.72 21.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 74.4 111.117 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.2 t -90.34 113.43 57.45 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 63.35 110.871 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -8.25 23.12 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.697 2.265 . . . . 71.43 112.364 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -80.84 -60.41 2.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 73.24 110.895 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.5 p -100.96 -40.89 7.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 73.53 110.938 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.43 52.12 0.78 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.67 -0.776 . . . . 74.44 112.417 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.53 151.05 52.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.903 0.382 . . . . 72.45 110.837 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.749 ' HA ' HD13 ' A' ' 20' ' ' ILE . 20.6 ttpp -60.25 122.08 13.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 73.33 110.915 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 p -73.82 164.33 26.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 74.31 111.131 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.62 HG22 ' HD3' ' A' ' 10' ' ' PRO . 14.4 m -136.08 154.95 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 71.13 111.179 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.9 mm -65.94 113.27 11.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.586 0.708 . . . . 70.52 111.131 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.18 0 C-N-CA 122.659 2.239 . . . . 72.22 112.402 179.849 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 19.7 m95 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.829 0.347 . . . . 75.25 110.94 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.98 -30.8 38.39 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.758 -0.734 . . . . 72.43 112.421 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -87.54 -25.18 23.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.791 0.329 . . . . 72.02 110.893 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -53.87 -27.93 33.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 65.05 110.953 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 60.4 ttt-85 -58.67 -36.29 73.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 61.32 110.921 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -62.7 -33.05 74.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 72.4 110.872 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.7 mmt -84.35 -24.53 29.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 62.1 110.92 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.4 tt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 64.54 110.908 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.656 ' HB3' HD13 ' A' ' 30' ' ' ILE . 7.4 ptmt . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.852 0.358 . . . . 63.44 110.918 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.1 ttpt -140.01 149.58 43.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 73.4 110.859 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.666 ' N ' HG22 ' A' ' 28' ' ' THR . 46.4 t -72.46 116.48 49.84 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 54.21 110.855 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.459 ' HD3' HG22 ' A' ' 29' ' ' VAL . 53.3 Cg_endo -69.79 -5.59 16.58 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.657 2.238 . . . . 54.1 112.339 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.21 -45.43 7.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 65.22 110.872 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.3 m -107.73 -56.33 2.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 64.55 110.882 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.63 29.17 1.61 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.76 -0.733 . . . . 52.52 112.493 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' ' 15' ' ' TYR . 8.1 tp -93.77 132.09 38.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.363 . . . . 64.05 110.94 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.456 ' N ' HD12 ' A' ' 14' ' ' LEU . 30.2 m-85 -83.4 144.57 29.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 72.2 110.914 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.438 HG22 HG21 ' A' ' 28' ' ' THR . 15.2 t -175.36 179.58 1.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 61.35 111.166 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.8 mt -129.86 3.2 4.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 74.43 110.94 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -79.02 -3.26 44.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 73.42 110.931 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 64.39 8.96 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 75.43 110.884 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.633 HD13 ' HA ' ' A' ' 27' ' ' LYS . 31.9 mm -144.95 133.95 17.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 71.35 111.163 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.1 t -75.21 114.3 34.03 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.684 0.754 . . . . 75.15 110.846 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.438 ' HD2' HD23 ' A' ' 14' ' ' LEU . 52.8 Cg_endo -69.75 -6.52 18.79 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.707 2.272 . . . . 50.2 112.292 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.64 -60.82 1.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 74.23 110.916 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.9 p -102.55 -38.83 7.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 63.35 110.906 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.568 ' O ' HG23 ' A' ' 20' ' ' ILE . . . 122.42 -26.8 6.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.757 . . . . 73.12 112.509 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -50.83 142.8 10.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.967 0.413 . . . . 73.2 110.929 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.633 ' HA ' HD13 ' A' ' 20' ' ' ILE . 9.8 mtmm -64.5 145.07 56.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 55.01 110.887 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.666 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.0 OUTLIER -89.32 155.21 19.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 54.34 111.102 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.459 HG22 ' HD3' ' A' ' 10' ' ' PRO . 11.5 m -133.02 150.75 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 75.25 111.178 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.656 HD13 ' HB3' ' A' ' 7' ' ' LYS . 33.2 mm -62.95 112.58 7.04 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.564 0.697 . . . . 73.0 111.097 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.183 0 C-N-CA 122.674 2.25 . . . . 64.31 112.381 179.865 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 8.2 m95 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.799 0.333 . . . . 72.14 110.892 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.47 -85.54 0.26 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.687 -0.768 . . . . 62.44 112.529 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -52.11 -29.8 23.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.782 0.325 . . . . 71.42 110.947 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -56.92 -29.53 63.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 75.32 110.893 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -51.91 -31.8 30.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.917 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.3 ttm-85 -51.51 -68.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 43.42 110.899 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -54.03 -27.58 32.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 71.22 110.908 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.519 ' O ' HD13 ' A' ' 49' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.235 -0.439 . . . . 72.31 110.951 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.596 ' HB3' HD13 ' A' ' 30' ' ' ILE . 9.0 ptmt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.86 0.362 . . . . 73.23 110.902 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -144.88 149.2 34.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 74.52 110.882 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.536 ' N ' HG22 ' A' ' 28' ' ' THR . 48.9 t -72.39 116.59 50.8 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.635 0.731 . . . . 73.41 110.933 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.647 ' HD3' HG22 ' A' ' 29' ' ' VAL . 54.0 Cg_endo -69.82 -6.02 17.63 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.708 2.272 . . . . 71.41 112.295 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -95.47 -44.58 7.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 73.54 110.915 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.0 m -107.89 -57.01 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 73.43 110.857 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.16 28.23 1.7 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 32.21 112.407 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 15' ' ' TYR . 8.8 tp -92.69 131.19 37.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.806 0.336 . . . . 73.34 110.919 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.44 ' N ' HD12 ' A' ' 14' ' ' LEU . 34.9 m-85 -83.73 144.39 29.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 75.42 110.901 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.427 HG22 HG21 ' A' ' 28' ' ' THR . 15.3 t -175.27 -179.56 1.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.069 -0.514 . . . . 62.43 111.116 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 mt -131.04 4.06 4.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 61.41 110.92 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt -80.52 -0.47 37.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 61.44 110.919 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.439 ' O ' HD13 ' A' ' 20' ' ' ILE . 6.0 mt-10 63.57 10.22 4.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 61.03 110.835 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.632 HD13 ' HA ' ' A' ' 27' ' ' LYS . 28.1 mm -143.96 145.2 22.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 73.04 111.12 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.6 t -90.31 111.17 45.61 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.648 0.737 . . . . 61.24 110.923 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -6.71 19.22 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 73.21 112.393 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.76 -60.21 2.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.892 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.7 p -101.92 -36.15 8.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 70.41 110.918 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.09 28.4 4.97 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.708 -0.758 . . . . 51.01 112.482 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -110.3 137.67 47.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.015 0.436 . . . . 65.21 110.852 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.632 ' HA ' HD13 ' A' ' 20' ' ' ILE . 13.8 mttm -50.62 142.17 11.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 74.53 110.879 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.536 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.2 p -90.68 159.11 16.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 74.54 111.134 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.647 HG22 ' HD3' ' A' ' 10' ' ' PRO . 13.2 m -136.46 153.79 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 64.32 111.099 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.596 HD13 ' HB3' ' A' ' 7' ' ' LYS . 33.4 mm -63.63 113.07 8.6 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.697 0.761 . . . . 72.31 111.081 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.243 . . . . 55.05 112.336 179.864 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.725 0.298 . . . . 72.33 110.855 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.9 -30.85 54.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.681 -0.771 . . . . 43.12 112.489 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -64.95 -19.17 65.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.741 0.305 . . . . 71.55 110.885 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -53.23 -33.29 52.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 75.13 110.953 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -56.07 -24.8 42.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 73.1 110.862 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -87.17 -41.47 13.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 55.42 110.876 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.1 mmt -101.46 35.1 2.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 63.34 110.927 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 72.32 110.934 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.519 ' HB3' HD13 ' A' ' 30' ' ' ILE . 4.4 ptmt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.901 0.381 . . . . 65.52 110.876 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -145.92 148.85 33.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 63.52 110.957 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.583 ' N ' HG22 ' A' ' 28' ' ' THR . 49.3 t -72.19 116.78 52.37 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.564 0.697 . . . . 71.42 110.904 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.5 ' HD3' HG22 ' A' ' 29' ' ' VAL . 54.1 Cg_endo -69.71 -6.0 17.53 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.789 2.326 . . . . 74.13 112.318 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.89 -45.16 7.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 63.23 110.862 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.6 m -106.59 -56.59 2.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 73.1 110.876 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.77 29.58 1.67 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.713 -0.756 . . . . 65.23 112.513 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 15' ' ' TYR . 7.5 tp -95.76 131.17 42.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.795 0.331 . . . . 70.14 111.004 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.463 ' N ' HD12 ' A' ' 14' ' ' LEU . 46.5 m-85 -82.88 146.22 29.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 75.01 110.9 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -174.48 -179.37 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 44.21 111.186 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.0 mt -129.98 2.68 4.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 72.1 110.894 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -80.14 -1.5 40.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 75.24 110.818 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 65.05 7.99 4.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 74.13 110.925 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.731 HD13 ' HA ' ' A' ' 27' ' ' LYS . 27.4 mm -144.13 143.37 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.25 111.19 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.7 t -82.9 112.8 40.87 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.646 0.736 . . . . 65.2 110.898 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -5.32 15.95 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.713 2.275 . . . . 72.45 112.362 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.74 -61.44 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 44.44 110.914 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.5 p -99.8 -36.66 9.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 71.15 110.908 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.99 30.37 5.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 54.52 112.489 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -108.29 139.47 42.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.003 0.43 . . . . 64.01 110.856 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.731 ' HA ' HD13 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -50.62 137.03 20.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 73.54 110.965 179.866 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.583 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.2 p -90.68 161.36 15.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 61.31 111.092 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.5 HG22 ' HD3' ' A' ' 10' ' ' PRO . 17.6 m -138.94 154.3 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 54.32 111.138 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.519 HD13 ' HB3' ' A' ' 7' ' ' LYS . 33.0 mm -63.5 112.8 7.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.649 0.738 . . . . 74.2 111.177 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.159 0 C-N-CA 122.705 2.27 . . . . 63.2 112.285 179.945 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 21.2 m95 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.807 0.337 . . . . 74.32 110.923 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.03 -30.39 30.43 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.825 -0.702 . . . . 73.52 112.456 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.8 mtmt -88.06 -29.49 20.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 72.33 110.924 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -52.42 -31.22 33.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 62.24 110.933 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -57.89 -65.75 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 74.12 110.934 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -55.01 -39.22 68.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 72.21 110.841 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.1 mmt -62.79 -25.23 68.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 73.45 110.783 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.417 ' O ' HD23 ' A' ' 49' ' ' LEU . 1.4 tt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.437 . . . . 70.05 110.907 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.511 ' HB3' HD13 ' A' ' 30' ' ' ILE . 7.5 ptmt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.752 0.31 . . . . 63.1 110.907 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -143.47 149.27 37.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.277 -0.419 . . . . 74.34 110.86 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.631 ' N ' HG22 ' A' ' 28' ' ' THR . 47.6 t -72.02 117.15 55.59 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.623 0.725 . . . . 74.52 110.912 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.538 ' HD3' HG22 ' A' ' 29' ' ' VAL . 53.6 Cg_endo -69.77 -5.78 17.02 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.72 2.28 . . . . 71.45 112.322 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.65 -44.84 7.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 73.2 110.882 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.0 m -108.43 -56.07 2.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 74.13 110.949 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.89 34.73 1.02 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 25.2 112.495 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.432 HD23 ' HD2' ' A' ' 22' ' ' PRO . 8.5 tp -98.36 129.52 45.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 74.22 110.91 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.431 ' N ' HD12 ' A' ' 14' ' ' LEU . 3.1 m-85 -81.88 144.89 30.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 75.03 110.929 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -176.02 -179.77 1.19 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.479 . . . . 72.32 111.16 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mt -128.55 0.49 5.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 72.5 110.924 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -77.42 -3.3 39.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 71.13 110.891 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 64.92 8.32 4.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.243 -0.435 . . . . 74.41 110.888 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.444 HD13 ' HA ' ' A' ' 27' ' ' LYS . 13.0 mm -141.03 143.39 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 61.1 111.153 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.9 t -87.6 111.39 41.51 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.65 0.738 . . . . 72.21 110.888 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.432 ' HD2' HD23 ' A' ' 14' ' ' LEU . 53.5 Cg_endo -69.7 -6.67 19.12 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 61.22 112.337 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.79 -59.34 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.428 . . . . 75.54 110.886 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.5 p -104.2 -36.78 7.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 45.05 110.849 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.99 28.75 4.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.726 . . . . 72.22 112.526 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -107.98 139.61 42.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 70.44 110.924 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.444 ' HA ' HD13 ' A' ' 20' ' ' ILE . 1.1 mptp? -52.08 139.76 22.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 71.43 110.964 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.631 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.1 p -91.14 154.88 19.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.25 -0.432 . . . . 71.11 111.134 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.538 HG22 ' HD3' ' A' ' 10' ' ' PRO . 17.4 m -132.85 154.27 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 71.52 111.212 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.511 HD13 ' HB3' ' A' ' 7' ' ' LYS . 33.7 mm -62.8 112.31 6.46 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.572 0.701 . . . . 64.42 111.148 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.341 0.151 0 C-N-CA 122.635 2.223 . . . . 61.21 112.367 179.878 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 23.0 m95 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.757 0.313 . . . . 74.42 110.937 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.28 -31.98 35.84 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.737 . . . . 74.22 112.539 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -88.04 -26.01 22.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 70.32 110.887 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -54.59 -27.07 36.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 54.2 110.951 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.1 tpp85 -52.14 -30.12 25.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.076 -0.511 . . . . 75.05 110.868 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.6 mtt-85 -56.76 -32.07 65.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 73.01 110.886 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.6 mmt -99.29 -30.82 12.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 64.01 110.925 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.441 ' O ' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 73.41 110.899 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.639 ' HB3' HD13 ' A' ' 30' ' ' ILE . 8.5 ptmt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.826 0.346 . . . . 65.43 110.911 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -141.37 148.87 40.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 53.01 110.846 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.689 ' N ' HG22 ' A' ' 28' ' ' THR . 47.2 t -71.73 117.25 55.94 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.628 0.728 . . . . 72.42 110.85 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.531 ' HD3' HG22 ' A' ' 29' ' ' VAL . 53.8 Cg_endo -69.74 -5.91 17.33 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.67 2.247 . . . . 63.44 112.336 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.2 -42.8 8.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 61.32 110.888 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.7 m -109.8 -56.99 2.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 54.05 110.798 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.67 31.6 1.33 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.766 -0.731 . . . . 64.15 112.507 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 15' ' ' TYR . 6.7 tp -97.26 130.92 44.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.793 0.33 . . . . 73.14 110.92 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.468 ' N ' HD12 ' A' ' 14' ' ' LEU . 1.1 m-85 -80.32 145.46 32.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 63.5 110.881 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.484 HG22 HG21 ' A' ' 28' ' ' THR . 15.1 t -175.68 174.68 2.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 72.33 111.157 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 mt -125.31 2.77 7.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 72.14 110.844 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -80.38 -2.73 46.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 72.14 110.886 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 63.18 10.33 4.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 73.42 110.847 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.636 HD13 ' HA ' ' A' ' 27' ' ' LYS . 32.0 mm -144.79 134.1 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 73.41 111.08 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.2 t -74.86 114.63 36.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.562 0.696 . . . . 64.14 110.848 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.411 ' HD2' HD23 ' A' ' 14' ' ' LEU . 53.9 Cg_endo -69.78 -5.62 16.65 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.685 2.257 . . . . 61.1 112.337 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.59 -61.97 1.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 71.53 110.837 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.3 p -100.92 -37.79 8.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 70.04 110.87 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.582 ' O ' HG23 ' A' ' 20' ' ' ILE . . . 120.46 -26.8 6.84 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.628 -0.796 . . . . 64.03 112.499 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -50.75 141.57 12.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.993 0.425 . . . . 52.21 110.813 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.636 ' HA ' HD13 ' A' ' 20' ' ' ILE . 12.0 mtmt -63.51 143.92 57.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 72.42 110.868 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.689 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.0 OUTLIER -87.24 158.16 19.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.283 -0.417 . . . . 64.34 111.106 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.531 HG22 ' HD3' ' A' ' 10' ' ' PRO . 16.0 m -136.42 155.22 33.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 61.34 111.186 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.639 HD13 ' HB3' ' A' ' 7' ' ' LYS . 24.1 mm -63.43 112.57 7.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 64.12 111.133 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.342 0.198 0 C-N-CA 122.669 2.246 . . . . 65.34 112.322 179.945 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.814 0.34 . . . . 61.13 110.94 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.8 -27.86 45.11 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.676 -0.773 . . . . 24.04 112.498 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -68.59 -31.24 70.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 64.15 110.904 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -57.99 -24.81 59.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 62.24 110.936 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -31.04 31.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 72.23 110.874 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.3 mtp85 -59.9 -33.02 71.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 74.53 110.876 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 29.3 mmt -91.91 -23.61 19.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 64.33 110.844 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.7 tp . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.234 -0.439 . . . . 64.24 110.844 -179.971 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.816 0.341 . . . . 65.33 110.935 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -146.2 147.18 31.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.314 -0.403 . . . . 75.12 110.934 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.581 ' N ' HG22 ' A' ' 28' ' ' THR . 48.5 t -72.25 116.29 47.54 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.581 0.705 . . . . 70.32 110.896 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.582 ' HD3' HG22 ' A' ' 29' ' ' VAL . 53.6 Cg_endo -69.75 -6.68 19.17 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.707 2.272 . . . . 71.13 112.361 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -94.43 -44.26 7.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 75.15 110.845 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.3 m -108.29 -56.41 2.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.918 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.57 20.8 3.13 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.685 -0.769 . . . . 73.21 112.436 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.45 HD12 ' N ' ' A' ' 15' ' ' TYR . 9.0 tp -85.14 132.75 34.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.87 0.366 . . . . 74.04 110.916 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.45 ' N ' HD12 ' A' ' 14' ' ' LEU . 26.7 m-85 -85.86 144.06 27.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 44.23 110.967 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.4 t -175.16 179.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.32 111.115 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 mt -130.18 5.01 4.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 61.14 110.941 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.4 mtpt -80.62 -1.19 41.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 54.53 110.932 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.435 ' O ' HD13 ' A' ' 20' ' ' ILE . 9.6 mt-10 63.79 9.96 4.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 75.04 110.89 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.675 HD13 ' HA ' ' A' ' 27' ' ' LYS . 29.2 mm -144.58 144.25 22.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 64.33 111.112 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.9 t -88.29 111.48 43.62 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.599 0.714 . . . . 73.11 110.863 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -6.35 18.36 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 63.53 112.386 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.62 -62.46 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 63.23 110.889 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.3 p -98.07 -36.17 10.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 63.52 110.903 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.4 29.2 5.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 71.22 112.536 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -111.39 138.64 47.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.378 . . . . 75.11 110.913 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.675 ' HA ' HD13 ' A' ' 20' ' ' ILE . 19.1 mtmt -49.83 143.53 7.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 65.45 110.914 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.581 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.0 OUTLIER -94.53 156.97 16.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 61.01 111.111 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.582 HG22 ' HD3' ' A' ' 10' ' ' PRO . 10.3 m -131.8 147.35 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 74.34 111.133 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.436 ' N ' HD12 ' A' ' 30' ' ' ILE . 2.1 mp -64.82 113.33 10.51 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.714 0.769 . . . . 75.34 111.153 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.68 2.254 . . . . 74.41 112.348 179.918 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 7.2 m0 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.804 0.335 . . . . 71.42 110.944 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.34 -29.34 68.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.779 -0.724 . . . . 64.12 112.429 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -84.64 -27.06 27.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.733 0.302 . . . . 75.33 110.905 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -69.7 -31.38 69.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.271 -0.422 . . . . 62.21 110.884 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.5 tpt85 -60.58 -35.95 77.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 74.22 110.855 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -30.32 71.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 71.43 110.908 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.1 tpt -82.56 -33.33 28.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 54.41 110.932 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.526 ' O ' HD23 ' A' ' 49' ' ' LEU . 1.8 tt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 73.03 110.965 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.531 -0.228 . . . . 72.25 112.531 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 59.5 p -68.83 -50.37 50.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.355 . . . . 71.24 110.86 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 30.2 p80 -86.45 136.98 32.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 71.45 110.882 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 ptm -73.74 138.09 44.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 65.14 110.937 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.1 m -91.01 146.79 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 43.21 111.14 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -55.05 141.56 33.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 75.13 110.878 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.2 158.69 1.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 73.42 110.885 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.16 -176.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 72.22 110.846 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.538 ' HA ' HD23 ' A' ' 17' ' ' LEU . 3.4 ptm -52.22 159.37 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 70.45 110.839 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.477 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -115.84 178.3 4.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 73.21 110.908 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -135.76 145.89 47.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 70.05 110.895 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.565 ' N ' HG22 ' A' ' 28' ' ' THR . 46.2 t -72.38 117.64 60.6 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.57 0.7 . . . . 62.05 110.878 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.617 ' HD3' HG22 ' A' ' 29' ' ' VAL . 53.7 Cg_endo -69.83 -5.44 16.25 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.679 2.253 . . . . 75.01 112.321 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.49 -43.83 7.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 41.45 110.89 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.7 m -109.24 -56.8 2.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 65.13 110.9 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.07 25.06 2.34 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 60.5 112.503 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 15' ' ' TYR . 8.8 tp -91.24 133.86 35.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.763 0.316 . . . . 71.35 110.922 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.466 ' N ' HD12 ' A' ' 14' ' ' LEU . 49.7 m-85 -87.47 146.7 25.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 65.34 110.901 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.402 HG22 HG21 ' A' ' 28' ' ' THR . 10.2 t -175.6 166.8 3.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 72.04 111.137 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.538 HD23 ' HA ' ' A' ' 6' ' ' MET . 4.8 mt -116.23 14.41 15.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 75.33 110.919 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -92.65 -0.34 57.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 74.31 110.91 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.434 ' O ' HD13 ' A' ' 20' ' ' ILE . 3.1 mt-10 62.53 11.04 4.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 75.11 110.928 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.64 HD13 ' HA ' ' A' ' 27' ' ' LYS . 28.8 mm -144.01 145.42 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 72.41 111.134 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.1 t -90.1 111.06 44.65 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.611 0.72 . . . . 63.2 110.918 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -6.81 19.5 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.676 2.251 . . . . 64.04 112.345 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.01 -60.23 2.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 75.33 110.877 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.2 p -102.67 -36.12 8.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 71.33 110.888 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.02 27.83 4.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 61.21 112.473 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -109.28 138.03 46.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.901 0.381 . . . . 63.3 110.865 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.64 ' HA ' HD13 ' A' ' 20' ' ' ILE . 10.8 mtmm -50.88 143.39 10.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 74.32 110.905 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.565 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.0 OUTLIER -92.18 150.68 20.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 73.22 111.132 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.617 HG22 ' HD3' ' A' ' 10' ' ' PRO . 12.4 m -129.17 156.89 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 61.45 111.157 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.477 HD13 ' HB3' ' A' ' 7' ' ' LYS . 37.8 mm -63.4 113.22 8.91 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.654 0.74 . . . . 74.32 111.116 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -25.25 28.84 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.69 2.26 . . . . 73.04 112.377 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -113.92 75.64 2.97 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.565 0.698 . . . . 74.41 110.895 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 167.78 23.43 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.245 . . . . 71.4 112.385 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 126.5 13.37 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.742 2.295 . . . . 64.34 112.307 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -100.17 -33.84 10.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 72.54 110.896 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -112.44 110.5 20.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 61.2 110.885 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.6 m -112.1 118.55 35.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 53.34 110.859 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.7 mt -66.06 -40.51 90.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 61.42 110.907 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -125.02 -37.14 2.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 75.45 110.867 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.7 t0 63.43 30.84 15.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 72.42 110.893 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -54.28 -45.8 72.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 52.33 110.901 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -95.48 20.12 9.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 73.42 110.946 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.51 -87.42 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 62.24 112.47 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -52.97 -28.86 25.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 65.15 110.949 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -53.98 -28.27 36.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 75.43 110.957 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.8 ttt-85 -52.66 -32.29 41.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 73.52 110.836 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.1 mmm-85 -61.29 -32.86 72.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 74.14 110.896 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 6.4 ttm -115.52 25.54 10.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 45.22 110.892 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.8 tt -87.96 -27.85 21.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.919 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.68 125.32 19.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 51.24 110.889 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -143.31 169.78 17.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.02 110.888 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -106.94 105.73 15.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 51.42 111.082 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.2 tp -151.9 117.96 5.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 72.33 110.862 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.8 123.93 34.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 73.23 110.889 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -122.63 166.2 15.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 52.51 110.873 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -112.72 126.26 55.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 73.51 110.879 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -71.89 154.33 41.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 74.53 110.907 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -120.28 139.97 51.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 73.34 110.918 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.33 128.48 34.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 72.45 111.077 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.881 -179.926 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.462 -0.255 . . . . 60.44 112.462 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 9.2 p -137.34 125.21 22.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.933 0.397 . . . . 74.24 110.797 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -116.18 160.67 20.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.072 -0.513 . . . . 43.14 110.881 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 ptm -132.84 152.33 51.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 55.41 110.89 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.0 m -117.31 159.2 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 72.34 111.138 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -145.55 176.67 9.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 54.44 110.938 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 15.2 mmt -117.01 -29.91 5.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 55.42 110.89 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 ptt180 -60.56 -21.99 63.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 72.3 110.947 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.502 ' HA ' HD23 ' A' ' 17' ' ' LEU . 4.4 ptm -77.68 -171.2 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 74.14 110.841 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.621 ' HB3' HD13 ' A' ' 30' ' ' ILE . 7.8 ptmt -132.51 178.3 6.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 71.44 110.936 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -145.54 148.78 33.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 64.2 110.885 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.591 ' N ' HG22 ' A' ' 28' ' ' THR . 48.0 t -72.53 116.47 49.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.647 0.737 . . . . 64.4 110.868 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.637 ' HD3' HG22 ' A' ' 29' ' ' VAL . 54.4 Cg_endo -69.74 -6.07 17.7 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.72 2.28 . . . . 65.03 112.368 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -95.09 -45.1 7.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 74.34 110.915 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.9 m -107.4 -56.75 2.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 73.02 110.876 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.96 26.62 2.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.787 -0.72 . . . . 74.23 112.432 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 15' ' ' TYR . 8.9 tp -90.79 132.84 35.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 75.1 110.92 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.455 ' N ' HD12 ' A' ' 14' ' ' LEU . 28.9 m-85 -84.85 143.39 29.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 72.42 110.993 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.5 t -175.17 175.15 2.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 54.45 111.124 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.502 HD23 ' HA ' ' A' ' 6' ' ' MET . 2.0 mt -126.54 7.67 6.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 64.33 110.965 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -83.88 -0.16 50.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 73.41 110.888 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.437 ' O ' HD13 ' A' ' 20' ' ' ILE . 5.5 mt-10 63.06 10.44 4.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 64.01 110.925 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.669 HD13 ' HA ' ' A' ' 27' ' ' LYS . 30.6 mm -144.1 144.9 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 64.5 111.143 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.5 t -89.98 111.02 44.18 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.553 0.692 . . . . 44.31 110.907 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -6.61 19.01 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.675 2.25 . . . . 72.32 112.353 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.84 -60.92 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 74.54 110.96 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.6 p -100.92 -35.87 9.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 71.52 110.933 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.44 28.49 5.13 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.76 -0.733 . . . . 63.44 112.506 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -110.49 138.01 47.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 73.32 110.903 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.669 ' HA ' HD13 ' A' ' 20' ' ' ILE . 26.4 ttpt -50.52 142.76 10.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 72.53 110.938 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.591 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.0 OUTLIER -91.91 159.46 15.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 72.33 111.136 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.637 HG22 ' HD3' ' A' ' 10' ' ' PRO . 13.4 m -136.03 154.79 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 44.11 111.191 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.621 HD13 ' HB3' ' A' ' 7' ' ' LYS . 30.5 mm -63.93 113.03 8.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.661 0.743 . . . . 64.43 111.083 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -171.66 0.5 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.714 2.276 . . . . 64.23 112.286 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.4 mtmm -114.87 76.07 4.11 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.54 0.686 . . . . 73.21 110.882 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 167.8 23.37 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.61 2.207 . . . . 74.24 112.331 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 126.47 13.35 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.763 2.309 . . . . 64.35 112.327 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -152.41 147.88 26.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 74.41 110.841 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -54.39 103.99 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 72.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 m -85.32 168.19 14.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 74.44 110.846 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.6 mt -70.09 -31.77 69.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 65.43 110.979 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -156.32 119.63 4.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 62.33 110.925 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -103.65 143.46 32.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 71.35 110.897 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -64.22 -64.84 0.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 70.01 110.898 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 32.7 m95 -98.73 -24.08 15.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 71.21 110.884 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.2 -87.2 0.19 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 72.35 112.476 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -51.88 -31.75 29.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.32 . . . . 65.33 110.893 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -77.57 -33.29 54.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 60.15 110.886 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.7 tpp85 -58.9 -31.05 68.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 64.14 110.915 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -57.03 -32.98 66.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 72.34 110.87 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.7 mtm -96.7 -29.26 13.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 70.22 110.851 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 49' ' ' LEU . 0.4 OUTLIER -51.99 -64.15 0.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 62.15 110.904 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -78.4 115.8 18.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 70.23 110.919 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -94.1 122.96 37.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.305 -0.407 . . . . 75.44 110.886 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.22 -36.11 11.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 74.11 111.13 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.66 133.7 51.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 74.45 110.933 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.6 tttt -168.19 153.44 6.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 73.13 110.977 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -104.13 169.26 8.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 71.14 110.927 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.29 112.5 25.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 72.15 110.856 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -64.93 122.84 17.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 72.45 110.945 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -113.64 128.4 56.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 70.01 110.896 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -161.76 162.05 29.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 64.12 111.034 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.18 -0.464 . . . . 72.43 110.897 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.451 -0.26 . . . . 63.22 112.451 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.1 p -92.37 -35.73 13.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 74.32 110.793 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 22.2 m80 56.72 40.64 29.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 73.42 110.891 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.6 ptm -90.38 160.18 16.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 73.03 110.887 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.9 p -98.74 144.03 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 61.43 111.128 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -113.45 105.61 13.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 70.1 110.898 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 18.1 mmm -145.79 156.13 43.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 71.22 110.842 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.493 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -58.77 133.21 55.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 72.12 110.896 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.3 ptm -174.1 -176.18 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 71.12 110.91 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.51 163.59 22.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 65.41 110.938 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -134.68 147.33 50.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 62.02 110.865 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.555 ' N ' HG22 ' A' ' 28' ' ' THR . 48.7 t -71.93 117.26 56.38 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.631 0.729 . . . . 61.11 110.873 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.4 ' HD3' HG22 ' A' ' 29' ' ' VAL . 53.9 Cg_endo -69.71 -5.84 17.15 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.644 2.229 . . . . 64.01 112.329 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.43 -43.26 7.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 73.23 110.865 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.7 m -107.99 -57.18 2.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 63.33 110.885 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.02 21.51 3.14 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.68 -0.771 . . . . 62.33 112.493 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 15' ' ' TYR . 8.8 tp -87.53 133.65 33.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.764 0.316 . . . . 74.25 110.968 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.466 ' N ' HD12 ' A' ' 14' ' ' LEU . 44.7 m-85 -87.35 147.84 25.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.025 0.441 . . . . 72.34 110.919 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.7 t -175.16 175.68 2.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 63.21 111.149 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.493 HD21 ' O ' ' A' ' 5' ' ' ARG . 4.7 mt -122.68 1.45 9.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 73.43 110.9 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -80.29 -1.1 39.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.904 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 63.22 10.29 4.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.412 . . . . 71.44 110.899 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.669 HD13 ' HA ' ' A' ' 27' ' ' LYS . 26.5 mm -143.06 145.73 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 74.53 111.072 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.8 t -88.71 111.34 43.6 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.609 0.719 . . . . 43.51 110.887 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -7.56 21.39 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 73.25 112.368 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.75 -60.54 2.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 72.44 110.855 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.1 p -103.08 -36.75 8.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.274 -0.421 . . . . 75.53 110.899 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.04 28.33 4.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.741 . . . . 73.21 112.501 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -107.87 136.52 47.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.96 0.409 . . . . 74.01 110.89 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.669 ' HA ' HD13 ' A' ' 20' ' ' ILE . 20.5 mttp -51.4 139.59 19.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.496 . . . . 73.11 110.867 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.555 HG22 ' N ' ' A' ' 9' ' ' CYS . 4.6 p -91.24 156.76 17.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 42.5 111.197 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.4 HG22 ' HD3' ' A' ' 10' ' ' PRO . 15.1 m -130.8 153.24 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 61.01 111.177 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.8 mm -60.99 112.25 5.45 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.636 0.731 . . . . 73.13 111.13 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -171.76 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.735 2.29 . . . . 72.22 112.306 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -113.81 75.89 2.95 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 63.22 110.959 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 167.68 23.64 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.703 2.269 . . . . 64.33 112.359 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 178.63 4.39 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.702 2.268 . . . . 75.11 112.367 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -89.82 -29.31 18.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 74.11 110.892 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -53.23 110.66 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 74.21 110.837 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.0 t -154.12 155.51 35.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.052 -0.522 . . . . 74.32 110.821 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.97 -28.49 65.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 75.41 110.922 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -129.52 117.01 19.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 72.14 110.932 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -141.95 127.14 18.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 74.33 110.892 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -59.69 -33.74 71.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 75.35 110.953 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 14.7 m95 -95.05 20.22 9.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 75.13 110.931 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.11 -29.13 27.86 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 43.53 112.445 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -88.45 -25.67 22.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.728 0.299 . . . . 65.33 110.859 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -52.99 -28.83 25.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 52.3 110.94 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -52.4 -33.24 42.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 73.44 110.869 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -58.53 -31.78 68.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.275 -0.42 . . . . 73.33 110.885 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.2 tpt -97.71 -26.24 14.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 72.13 110.884 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.49 ' O ' HD23 ' A' ' 49' ' ' LEU . 2.3 tt -52.09 -30.64 27.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 65.33 110.916 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.8 mttm -79.75 169.02 18.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 53.25 110.871 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.59 32.79 7.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 73.12 110.845 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -87.16 -26.05 23.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 54.22 111.107 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 tp -131.99 166.12 22.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 70.14 110.928 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -90.97 -179.31 5.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.893 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -59.86 112.38 1.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 72.13 110.879 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -100.27 142.69 31.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 74.41 110.909 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -61.34 128.98 38.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 75.41 110.935 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.8 mmtm -117.13 140.04 50.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 70.34 110.889 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.83 132.25 34.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 51.1 111.115 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 72.25 110.842 -179.913 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.521 -0.232 . . . . 74.02 112.521 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.2 m -120.83 28.59 7.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.856 0.36 . . . . 44.5 110.796 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 54.9 m170 -125.06 -43.15 1.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 74.23 110.826 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpp? -63.4 -27.93 69.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 74.04 110.868 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.708 HG23 ' HG3' ' A' ' 3' ' ' GLU . 21.8 m -93.27 179.94 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 65.33 111.136 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.708 ' HG3' HG23 ' A' ' 2' ' ' VAL . 23.4 mt-10 60.04 28.98 18.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 73.32 110.854 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 12.9 mmm -56.6 -24.53 48.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 75.04 110.857 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -57.51 -24.3 55.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 63.42 110.901 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.463 ' HA ' HD23 ' A' ' 17' ' ' LEU . 7.4 ptm -73.2 -171.23 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 52.12 110.955 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.41 178.65 6.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 71.33 110.897 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -144.07 148.93 35.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 74.02 110.942 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.674 ' N ' HG22 ' A' ' 28' ' ' THR . 48.2 t -72.76 116.55 51.14 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.619 0.724 . . . . 71.13 110.903 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.542 ' HD3' HG22 ' A' ' 29' ' ' VAL . 54.0 Cg_endo -69.67 -6.08 17.7 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.714 2.276 . . . . 74.23 112.304 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -94.82 -46.0 7.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 62.34 110.913 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.4 m -106.52 -56.51 2.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 74.24 110.839 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.17 29.09 1.7 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 72.34 112.476 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.483 HD12 ' N ' ' A' ' 15' ' ' TYR . 8.0 tp -94.17 133.21 37.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 55.1 110.909 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.483 ' N ' HD12 ' A' ' 14' ' ' LEU . 27.5 m-85 -84.48 144.42 28.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 71.11 110.924 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.9 t -174.71 175.04 2.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 71.14 111.145 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 6' ' ' MET . 4.7 mt -125.32 2.86 7.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 73.22 110.883 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -79.07 -1.44 35.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 54.41 110.881 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 65.31 7.99 4.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 74.05 110.861 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.711 HD13 ' HA ' ' A' ' 27' ' ' LYS . 27.3 mm -143.56 145.66 22.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 53.21 111.162 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.3 t -86.7 111.73 41.91 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.564 0.697 . . . . 74.32 110.921 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -6.1 17.79 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.653 2.236 . . . . 62.04 112.405 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.32 -61.63 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 74.24 110.929 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.5 p -99.95 -36.14 9.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 64.22 110.87 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.3 29.48 5.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 73.51 112.438 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -109.8 139.13 45.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.913 0.387 . . . . 74.31 110.85 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.711 ' HA ' HD13 ' A' ' 20' ' ' ILE . 0.7 OUTLIER -50.79 140.52 14.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 74.34 110.897 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.674 HG22 ' N ' ' A' ' 9' ' ' CYS . 0.9 OUTLIER -92.37 158.63 15.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 55.13 111.172 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.542 HG22 ' HD3' ' A' ' 10' ' ' PRO . 14.8 m -135.93 160.25 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 71.03 111.164 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.558 HG22 ' H ' ' A' ' 32' ' ' LYS . 41.9 mm -64.88 113.38 10.77 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.656 0.741 . . . . 75.35 111.072 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -10.13 27.77 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.719 2.279 . . . . 73.51 112.322 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.558 ' H ' HG22 ' A' ' 30' ' ' ILE . 2.2 pttt -113.1 75.62 2.15 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.576 0.703 . . . . 73.52 110.927 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 167.68 23.65 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.764 2.309 . . . . 54.3 112.365 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -172.33 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.727 2.285 . . . . 52.5 112.326 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -73.89 174.45 8.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 75.2 110.903 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.1 t80 54.18 43.23 30.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 73.34 110.887 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.9 m -91.39 149.84 21.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.488 . . . . 54.34 110.916 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.4 tp -71.38 -27.27 63.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 55.53 110.888 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -56.62 -26.07 54.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 73.54 110.89 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -52.09 136.1 30.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 62.04 110.864 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -60.62 -67.41 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 73.21 110.865 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 25.0 m0 -93.56 -24.0 18.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.144 -0.48 . . . . 72.25 110.887 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.7 -89.19 0.15 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 50.03 112.533 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -51.8 -32.38 31.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.795 0.331 . . . . 74.23 110.896 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -84.39 -32.31 24.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 73.31 110.945 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -60.32 -26.53 66.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 75.5 110.873 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.7 tpt85 -52.04 -39.05 58.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 65.44 110.906 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.5 mmt -101.59 -32.02 10.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 72.11 110.886 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.448 ' O ' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -60.64 -26.44 67.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 73.02 110.899 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.55 163.71 3.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 70.3 110.929 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -127.29 129.14 47.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 60.03 110.829 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -110.42 -30.6 7.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 74.24 111.155 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.88 121.52 9.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.869 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -114.44 128.79 56.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 72.53 110.891 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -73.54 166.37 23.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 54.11 110.862 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -57.98 174.58 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 63.23 110.882 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -68.72 120.06 14.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 62.32 110.806 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.81 111.29 23.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 71.13 110.887 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.68 -51.01 21.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 63.52 111.076 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 71.24 110.968 -179.885 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.478 -0.249 . . . . 62.23 112.478 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.5 m -64.76 130.61 44.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.905 0.383 . . . . 53.03 110.858 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -140.82 157.18 45.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 74.23 110.877 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 ptp -113.13 31.26 6.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 63.55 110.906 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 p -140.54 140.56 33.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.236 -0.438 . . . . 64.51 111.071 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.89 141.79 37.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 64.2 110.915 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 20.8 mtt -154.3 167.56 29.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 73.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.451 ' O ' HD21 ' A' ' 17' ' ' LEU . 1.4 ppt_? -52.75 144.08 15.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 74.51 110.925 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.2 ptm -174.14 -169.02 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 73.15 110.926 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.59 ' HB3' HD13 ' A' ' 30' ' ' ILE . 8.8 ptmt -129.52 175.11 9.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 74.14 110.88 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -144.47 149.2 35.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 73.02 110.88 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.574 ' N ' HG22 ' A' ' 28' ' ' THR . 48.5 t -72.15 116.73 51.79 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.619 0.723 . . . . 63.33 110.941 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.642 ' HD3' HG22 ' A' ' 29' ' ' VAL . 52.7 Cg_endo -69.83 -5.71 16.91 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.628 2.219 . . . . 64.34 112.313 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -95.54 -44.74 7.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.843 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.2 m -107.89 -56.65 2.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 75.25 110.926 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.39 30.94 1.33 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.689 -0.767 . . . . 73.12 112.481 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.438 HD12 ' N ' ' A' ' 15' ' ' TYR . 7.3 tp -96.98 129.31 44.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.773 0.32 . . . . 51.51 110.905 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.438 ' N ' HD12 ' A' ' 14' ' ' LEU . 49.7 m-85 -81.16 146.51 30.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 64.04 110.945 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.464 HG22 HG21 ' A' ' 28' ' ' THR . 15.2 t -175.24 179.94 1.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 51.31 111.148 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.451 HD21 ' O ' ' A' ' 5' ' ' ARG . 4.3 mt -130.09 2.76 4.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 71.42 110.917 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.96 -0.62 40.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 62.33 110.912 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.44 ' O ' HD13 ' A' ' 20' ' ' ILE . 7.4 mt-10 63.34 10.6 4.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 71.14 110.882 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.663 HD13 ' HA ' ' A' ' 27' ' ' LYS . 29.3 mm -143.94 144.61 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 72.52 111.136 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.6 t -88.5 111.6 44.81 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.573 0.701 . . . . 72.43 110.913 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -6.54 18.83 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.706 2.27 . . . . 60.32 112.338 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.69 -61.84 1.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 74.43 110.86 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.0 p -99.74 -36.45 9.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 61.43 110.824 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.99 28.03 5.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.786 -0.721 . . . . 71.24 112.452 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -109.59 137.7 47.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.905 0.383 . . . . 62.41 110.947 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.663 ' HA ' HD13 ' A' ' 20' ' ' ILE . 24.2 ttpt -50.5 142.48 10.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 64.42 110.868 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.574 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.1 p -91.4 158.78 16.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 74.33 111.167 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.642 HG22 ' HD3' ' A' ' 10' ' ' PRO . 15.1 m -135.8 154.34 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 70.1 111.172 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.59 HD13 ' HB3' ' A' ' 7' ' ' LYS . 30.5 mm -63.56 112.9 8.09 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.595 0.712 . . . . 62.33 111.165 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 110.1 2.47 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.724 2.283 . . . . 52.24 112.312 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.4 ttmt -115.92 75.88 5.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.52 0.676 . . . . 65.01 110.909 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 167.76 23.45 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.718 2.279 . . . . 63.54 112.289 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.8 178.24 4.8 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.723 2.282 . . . . 74.03 112.267 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -23.19 61.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 75.22 110.885 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -91.09 99.56 12.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 71.13 110.917 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 t -140.12 170.92 14.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 74.34 110.852 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.4 mp -87.25 -26.05 23.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 72.31 110.919 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -60.32 -34.38 73.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 74.05 110.952 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.55 127.72 52.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.081 -0.509 . . . . 71.32 110.866 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.3 mtt-85 -73.84 -53.9 9.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 71.41 110.833 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -84.9 -19.58 32.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 75.15 110.903 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.94 -84.45 0.3 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.795 -0.717 . . . . 21.13 112.43 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -31.37 47.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.808 0.337 . . . . 74.54 110.874 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -60.45 -27.07 67.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 54.41 110.825 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 -52.25 -32.86 38.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 73.51 110.893 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.0 mtt-85 -59.47 -34.04 72.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 74.55 110.905 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.4 mtm -103.95 25.83 9.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 63.35 110.842 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.3 tt -92.02 -29.07 16.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 75.43 110.956 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -13.22 61.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 74.33 110.858 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.1 mmt85 -121.96 122.43 39.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 55.42 110.849 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -110.12 -26.69 9.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 72.13 111.086 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 mp -74.5 124.76 27.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 74.12 110.922 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -78.21 108.62 11.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 72.53 110.889 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -66.56 144.47 56.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 50.44 110.901 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.56 26.14 9.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 65.44 110.88 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.475 HD22 ' HB2' ' A' ' 59' ' ' ALA . 10.0 p-10 -121.56 -37.08 2.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 52.23 110.961 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp 58.38 42.29 21.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 61.34 110.914 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.475 ' HB2' HD22 ' A' ' 57' ' ' ASN . . . -57.93 -26.83 62.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 74.04 111.136 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 62.21 110.84 -179.871 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.552 -0.219 . . . . 74.14 112.552 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 84.1 p -144.7 161.42 39.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 73.34 110.888 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -64.13 -34.29 77.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 75.15 110.831 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 mtp -84.49 171.79 12.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 74.14 110.916 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.8 m -89.98 157.31 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 71.42 111.046 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -96.61 -28.54 14.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 72.22 110.886 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.9 ttt -96.33 143.2 27.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 73.51 110.913 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.446 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -174.53 145.66 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 71.04 110.851 -179.873 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.0 ptm -174.36 -169.36 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 72.42 110.901 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.611 ' HB3' HD13 ' A' ' 30' ' ' ILE . 9.0 ptmt -128.33 176.88 7.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 62.2 110.932 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -145.81 149.24 33.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 71.12 110.931 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.552 ' N ' HG22 ' A' ' 28' ' ' THR . 48.9 t -72.36 116.71 52.01 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.613 0.72 . . . . 63.15 110.857 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.656 ' HD3' HG22 ' A' ' 29' ' ' VAL . 54.1 Cg_endo -69.72 -6.25 18.13 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.705 2.27 . . . . 42.41 112.366 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.45 -43.93 7.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 61.44 110.879 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.9 m -108.36 -57.0 2.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 73.43 110.967 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.5 30.66 1.37 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 54.33 112.531 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.441 HD12 ' N ' ' A' ' 15' ' ' TYR . 7.6 tp -96.47 129.74 43.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 71.34 110.892 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.441 ' N ' HD12 ' A' ' 14' ' ' LEU . 50.1 m-85 -81.51 146.21 30.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 72.31 110.877 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.444 HG22 HG21 ' A' ' 28' ' ' THR . 15.2 t -175.37 -179.96 1.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 72.14 111.15 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.446 HD21 ' O ' ' A' ' 5' ' ' ARG . 4.3 mt -130.45 3.26 4.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 54.54 110.929 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -0.05 39.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 61.22 110.869 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.446 ' O ' HD13 ' A' ' 20' ' ' ILE . 6.7 mt-10 63.05 10.7 4.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 63.42 110.863 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.654 HD13 ' HA ' ' A' ' 27' ' ' LYS . 29.1 mm -143.96 144.99 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 74.02 111.143 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.2 t -89.44 111.3 44.79 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.645 0.735 . . . . 74.25 110.854 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 -6.91 19.67 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.756 2.304 . . . . 74.4 112.377 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.78 -61.39 1.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 55.32 110.883 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.7 p -100.37 -35.97 9.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 63.14 110.906 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.58 28.57 5.06 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.808 -0.711 . . . . 65.24 112.543 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -110.79 138.01 47.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.959 0.409 . . . . 74.05 110.889 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.654 ' HA ' HD13 ' A' ' 20' ' ' ILE . 22.3 ttpp -49.95 144.41 6.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 64.14 110.907 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.552 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.1 p -93.42 159.82 15.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 62.14 111.176 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.656 HG22 ' HD3' ' A' ' 10' ' ' PRO . 16.1 m -136.69 154.28 31.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 65.54 111.151 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.611 HD13 ' HB3' ' A' ' 7' ' ' LYS . 30.2 mm -64.19 112.86 8.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.636 0.731 . . . . 51.31 111.112 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.77 -47.49 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.639 2.226 . . . . 74.44 112.338 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.409 ' HG2' HG22 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -58.84 153.62 41.95 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.528 0.68 . . . . 41.34 110.908 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.85 167.72 23.73 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.684 2.256 . . . . 44.13 112.309 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -175.11 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.658 2.239 . . . . 74.15 112.325 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.03 -23.71 15.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 64.21 110.932 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -112.25 112.47 24.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.4 110.917 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.7 t -169.68 172.46 6.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 72.33 110.866 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.0 mt -82.84 -27.92 30.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 65.51 110.912 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -61.84 -23.1 66.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 73.31 110.904 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -51.84 161.39 0.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 53.05 110.871 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.9 tpm_? -51.98 -71.96 0.06 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.254 -0.43 . . . . 64.34 110.872 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -94.65 -24.03 17.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 70.32 110.989 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.23 -85.35 0.24 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.792 -0.718 . . . . 63.2 112.504 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.2 ptmm? -51.69 -30.18 21.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.792 0.33 . . . . 73.41 110.873 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -54.61 -27.13 37.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.424 . . . . 72.24 110.856 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.3 ppt_? -52.03 -32.92 36.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 63.32 110.816 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -57.18 -33.94 67.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 75.2 110.822 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -100.6 24.42 9.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 73.24 110.902 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.46 ' O ' HD23 ' A' ' 49' ' ' LEU . 2.9 tt -104.34 -28.03 11.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 72.43 110.935 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.6 172.73 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 74.24 110.872 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -113.75 140.71 48.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 74.42 110.878 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -133.74 126.25 30.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 64.31 111.08 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.32 127.87 30.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 63.14 110.913 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.19 107.18 4.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 71.23 110.963 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 61.78 38.07 15.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 73.01 110.909 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.58 -20.2 36.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 63.13 110.878 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -77.73 -26.2 49.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 42.51 110.863 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm 58.88 42.36 19.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.907 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.64 130.71 55.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 72.23 111.087 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 74.4 110.953 -179.96 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 N-CA-C 112.465 -0.254 . . . . 33.2 112.465 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 8.4 m 52.37 33.39 12.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.379 . . . . 75.41 110.864 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -68.42 169.41 10.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 74.15 110.88 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -120.26 114.22 21.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 74.14 110.902 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.1 t -105.94 130.71 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 72.25 111.134 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.67 125.13 25.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 72.44 110.882 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.5 ttm -155.31 141.91 18.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 54.44 110.905 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.525 ' O ' HD21 ' A' ' 17' ' ' LEU . 1.6 ppt_? -59.6 135.06 57.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 73.13 110.88 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.5 ptm -174.3 -177.03 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 60.34 110.865 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.78 164.97 19.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 71.31 110.851 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -134.44 148.46 50.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 74.42 110.915 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.493 ' N ' HG22 ' A' ' 28' ' ' THR . 49.1 t -72.28 116.95 54.26 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.687 0.756 . . . . 74.01 110.861 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.82 -5.73 16.94 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.729 2.286 . . . . 64.31 112.267 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -96.69 -43.02 7.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 63.44 111.008 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.0 m -108.18 -57.24 2.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 64.15 110.813 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.44 26.22 2.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 43.24 112.467 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.471 HD12 ' N ' ' A' ' 15' ' ' TYR . 8.1 tp -92.88 132.41 37.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.799 0.333 . . . . 75.41 110.983 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.471 ' N ' HD12 ' A' ' 14' ' ' LEU . 54.0 m-85 -84.86 147.66 26.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 73.31 110.914 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.2 t -175.19 174.63 2.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 74.12 111.135 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.525 HD21 ' O ' ' A' ' 5' ' ' ARG . 4.1 mt -121.53 1.09 10.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 65.24 110.944 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -79.83 -1.82 40.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 63.23 110.881 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 63.56 9.98 4.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 72.23 110.898 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.719 HD13 ' HA ' ' A' ' 27' ' ' LYS . 27.4 mm -144.02 143.55 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 62.42 111.202 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.5 t -84.17 112.38 40.73 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.568 0.699 . . . . 73.33 110.884 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.86 -6.51 18.81 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.623 2.216 . . . . 55.2 112.333 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.56 -60.18 2.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 61.11 110.869 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.0 p -103.12 -37.71 7.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 75.32 110.914 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.19 29.18 4.64 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.783 -0.722 . . . . 30.23 112.456 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -105.27 137.4 43.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 74.12 110.885 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.719 ' HA ' HD13 ' A' ' 20' ' ' ILE . 0.1 OUTLIER -51.79 134.35 30.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.46 . . . . 74.22 110.915 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.493 HG22 ' N ' ' A' ' 9' ' ' CYS . 5.7 p -87.77 159.12 18.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 63.25 111.118 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.4 m -134.6 153.26 34.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 64.31 111.097 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.1 mm -61.68 112.46 6.14 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.628 0.728 . . . . 64.34 111.134 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.83 114.62 3.78 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.633 2.222 . . . . 51.42 112.304 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.6 mttt -112.93 75.49 1.98 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.554 0.693 . . . . 73.21 110.932 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 167.74 23.57 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.687 2.258 . . . . 74.43 112.362 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -41.2 4.52 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.61 2.207 . . . . 71.34 112.409 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.3 tptt 51.88 88.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 74.21 110.913 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -129.89 23.12 5.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 74.33 110.838 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 m -71.56 174.96 5.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 64.3 110.876 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.9 mt -55.22 -27.6 47.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.481 . . . . 73.34 110.947 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -52.76 -32.84 45.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 72.12 110.919 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -99.58 120.17 39.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 74.13 110.853 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 45.0 mtt85 -61.27 -70.35 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 71.3 110.924 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 10.2 m-90 -97.28 -24.02 15.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 75.43 110.879 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.57 -84.88 0.27 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.68 -0.771 . . . . 34.11 112.521 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.3 ptmm? -51.71 -32.34 29.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 71.3 110.847 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -73.96 -36.49 64.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 71.42 110.925 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -63.32 -32.24 73.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 64.13 110.841 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -60.42 -30.76 69.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 64.33 110.852 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 29.7 mmt -98.43 -29.6 13.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 72.24 110.818 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.49 ' O ' HD13 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -54.61 -31.27 56.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 54.34 110.858 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.78 164.01 13.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.169 -0.469 . . . . 74.24 110.909 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 68.5 mtt180 -56.67 168.14 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 73.24 110.86 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -156.05 102.2 2.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 72.34 111.108 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 tp -138.61 136.66 36.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.445 . . . . 65.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -55.64 121.33 8.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 74.52 110.941 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -130.51 115.55 16.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 64.44 110.897 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.77 172.52 4.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.924 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -56.47 103.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 73.13 110.928 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.2 126.78 30.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 73.12 110.94 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -113.13 127.92 56.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 71.02 111.164 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 55.22 110.886 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 N-CA-C 112.544 -0.222 . . . . 62.12 112.544 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 65.3 p -108.86 128.79 55.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.927 0.394 . . . . 72.41 110.811 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 58.23 26.67 14.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 74.52 110.826 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.0 tpp -103.69 101.49 11.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 52.12 110.921 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.1 t 51.66 58.27 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 54.34 111.093 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -93.9 -29.8 15.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 61.41 110.912 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.1 mtp -141.06 125.69 17.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 74.13 110.873 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -61.52 -19.22 61.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 74.33 110.903 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.592 ' HA ' HD23 ' A' ' 17' ' ' LEU . 4.2 ttt -51.46 158.0 0.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 74.5 110.884 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.667 ' HB3' HD13 ' A' ' 30' ' ' ILE . 8.2 ptmt -131.61 178.2 6.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 73.25 110.859 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -143.7 148.58 35.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 63.33 110.854 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.615 ' N ' HG22 ' A' ' 28' ' ' THR . 44.6 t -72.28 117.12 55.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.566 0.698 . . . . 71.13 110.882 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.546 ' HD3' HG22 ' A' ' 29' ' ' VAL . 53.9 Cg_endo -69.72 -5.89 17.26 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.676 2.251 . . . . 61.24 112.311 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.88 -41.94 8.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 74.51 110.932 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.3 m -111.4 -56.96 2.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 73.34 110.889 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.95 28.78 1.63 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.791 -0.719 . . . . 71.12 112.522 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.471 HD12 ' N ' ' A' ' 15' ' ' TYR . 7.0 tp -94.06 131.27 39.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 53.42 110.897 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.471 ' N ' HD12 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -81.52 146.17 30.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 74.34 110.931 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.477 HG22 HG21 ' A' ' 28' ' ' THR . 15.3 t -175.37 176.28 2.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 75.34 111.167 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.592 HD23 ' HA ' ' A' ' 6' ' ' MET . 2.2 mt -127.09 3.5 6.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 54.13 110.891 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.8 mtmt -82.5 0.54 42.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 75.41 110.867 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.404 ' O ' HD13 ' A' ' 20' ' ' ILE . 6.0 mt-10 62.07 11.71 4.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 73.31 110.975 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.702 HD13 ' HA ' ' A' ' 27' ' ' LYS . 30.3 mm -144.43 144.18 22.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.091 -0.504 . . . . 72.44 111.132 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.6 t -88.72 111.41 44.09 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.659 0.743 . . . . 72.32 110.86 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -6.67 19.19 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.664 2.243 . . . . 74.4 112.278 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 -60.9 2.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 71.51 110.89 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.9 p -101.83 -36.21 8.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 62.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.58 27.57 5.17 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.781 -0.723 . . . . 73.31 112.514 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -108.03 135.7 48.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.917 0.389 . . . . 73.12 110.882 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.702 ' HA ' HD13 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -50.52 140.09 14.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 64.41 110.95 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.615 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.2 p -89.48 158.35 17.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 54.1 111.132 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.546 HG22 ' HD3' ' A' ' 10' ' ' PRO . 15.1 m -135.75 153.63 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 65.1 111.154 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.667 HD13 ' HB3' ' A' ' 7' ' ' LYS . 29.0 mm -62.96 112.54 6.96 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.588 0.709 . . . . 61.03 111.115 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -19.45 36.27 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.708 2.272 . . . . 65.23 112.343 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.408 ' HB2' HG22 ' A' ' 30' ' ' ILE . 0.9 OUTLIER -60.2 160.55 16.55 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.53 0.681 . . . . 64.42 110.909 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.67 167.7 23.58 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.665 2.243 . . . . 65.13 112.334 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 176.46 6.81 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.584 2.189 . . . . 61.41 112.35 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -103.66 169.41 8.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 64.43 110.883 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -70.43 103.99 2.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.968 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.8 t -120.01 135.05 55.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 43.44 110.87 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.3 tp -81.67 -27.52 33.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 75.41 110.926 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -60.97 -31.28 70.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 73.11 110.892 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.41 113.8 1.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 72.32 110.842 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -62.06 -43.19 99.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 64.15 110.861 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -103.41 20.13 18.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 75.54 110.857 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.81 -31.8 79.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.781 -0.724 . . . . 41.1 112.502 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -87.75 -30.37 20.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.784 0.326 . . . . 61.14 110.87 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -52.85 -29.16 26.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 71.31 110.918 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.1 ttp85 -52.5 -34.42 49.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 53.32 110.876 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -62.22 -34.22 76.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 63.34 110.917 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.9 mmt -101.8 25.43 8.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.856 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.406 HD23 ' HD2' ' A' ' 50' ' ' LYS . 60.1 tp -66.24 -24.5 66.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 73.52 110.908 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.406 ' HD2' HD23 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -142.55 162.36 35.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 75.13 110.895 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.2 mmt85 -54.01 131.69 41.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 73.31 110.869 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -137.75 108.67 6.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 75.22 111.116 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.0 tp -115.62 128.27 55.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 71.05 110.907 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.0 pttt -121.69 119.41 31.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 73.33 110.912 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -89.99 -25.44 20.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 60.3 110.909 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.77 109.33 4.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 71.03 110.868 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -97.65 -35.07 10.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 70.54 110.856 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -53.62 -30.66 43.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 72.34 110.889 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.21 -44.53 65.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 33.03 111.105 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 71.55 110.892 -179.889 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.567 -0.213 . . . . 51.41 112.567 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 20.1 m -64.52 131.18 46.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.936 0.398 . . . . 72.12 110.853 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -91.22 -63.62 1.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 62.33 110.876 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 ttt -61.07 111.49 1.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 71.42 110.862 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.7 m -134.67 168.84 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 75.34 111.155 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.1 mp0 -133.98 148.85 51.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 75.21 110.928 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.4 ttm -163.65 165.2 23.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 72.24 110.88 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.58 -10.12 59.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 75.43 110.881 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.524 ' HA ' HD23 ' A' ' 17' ' ' LEU . 4.0 ptm -70.63 -171.3 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 74.22 110.903 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.651 ' HB3' HD13 ' A' ' 30' ' ' ILE . 7.1 ptmt -134.27 178.5 6.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 73.52 110.874 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -144.26 148.34 34.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 72.45 110.94 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.613 ' N ' HG22 ' A' ' 28' ' ' THR . 48.6 t -72.53 116.75 52.75 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.657 0.741 . . . . 72.31 110.855 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.641 ' HD3' HG22 ' A' ' 29' ' ' VAL . 53.4 Cg_endo -69.79 -5.77 17.03 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.71 2.273 . . . . 74.05 112.341 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -95.96 -43.74 7.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 75.41 110.852 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.7 m -108.62 -57.18 2.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.901 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.61 24.91 2.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.821 -0.704 . . . . 43.11 112.474 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 15' ' ' TYR . 8.7 tp -89.88 132.48 35.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 44.54 110.875 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.455 ' N ' HD12 ' A' ' 14' ' ' LEU . 33.1 m-85 -85.02 144.54 28.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 75.1 110.897 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.4 t -175.36 173.32 2.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 72.34 111.111 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.524 HD23 ' HA ' ' A' ' 6' ' ' MET . 2.4 mt -124.16 9.7 8.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 75.45 110.868 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -86.73 -0.23 55.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 71.44 110.923 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.432 ' O ' HD13 ' A' ' 20' ' ' ILE . 6.2 mt-10 62.75 11.05 4.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 63.24 110.834 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.665 HD13 ' HA ' ' A' ' 27' ' ' LYS . 29.9 mm -144.28 144.3 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 54.03 111.092 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.5 t -89.72 111.05 43.83 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.594 0.711 . . . . 73.52 110.918 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.69 -7.03 20.0 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.727 2.285 . . . . 71.13 112.386 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.28 -61.43 1.9 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 73.1 110.851 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.1 p -100.38 -35.85 9.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 51.34 110.906 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.37 29.12 4.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 53.34 112.496 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -111.21 138.29 47.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.914 0.388 . . . . 74.4 110.936 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.665 ' HA ' HD13 ' A' ' 20' ' ' ILE . 27.5 mttt -50.92 142.34 11.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 72.23 110.956 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.613 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.0 OUTLIER -91.89 158.72 16.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 75.33 111.096 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.641 HG22 ' HD3' ' A' ' 10' ' ' PRO . 16.5 m -134.64 154.91 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 74.55 111.136 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.651 HD13 ' HB3' ' A' ' 7' ' ' LYS . 29.6 mm -64.31 113.03 8.99 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.635 0.731 . . . . 63.13 111.097 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 81.91 0.79 Allowed 'Trans proline' 0 N--CA 1.464 -0.213 0 C-N-CA 122.654 2.236 . . . . 74.41 112.357 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -64.32 160.67 48.19 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.599 0.714 . . . . 65.14 110.922 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 167.76 23.59 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.732 2.288 . . . . 73.01 112.316 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -170.63 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.685 2.257 . . . . 51.11 112.325 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.3 tptt -55.55 154.09 6.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 73.34 110.902 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -115.36 28.89 8.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 72.35 110.896 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.7 -177.81 6.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 75.54 110.884 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 tp 63.61 37.51 10.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 62.31 110.92 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.78 28.0 16.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 75.53 110.876 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -52.13 170.16 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 74.33 110.848 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 68.5 mtt85 -55.18 -35.35 64.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 62.25 110.857 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -96.21 20.13 10.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.161 -0.472 . . . . 70.14 110.928 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.07 -30.86 74.72 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.737 -0.744 . . . . 55.43 112.552 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -83.94 -28.9 27.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.761 0.315 . . . . 74.11 110.867 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -60.01 -24.92 64.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 65.42 110.965 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.36 -67.78 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 73.14 110.837 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.84 -22.95 59.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 74.14 110.878 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.1 mmt -95.81 25.39 4.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 72.35 110.941 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 tt -109.67 -26.12 10.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 75.32 110.968 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.16 163.03 20.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 73.12 110.946 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.3 ptt-85 -119.02 164.39 15.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 73.32 110.929 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.11 -24.5 30.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 62.34 111.079 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 tp -51.87 128.67 24.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 64.01 110.897 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.96 129.95 44.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 61.34 110.88 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -122.87 150.3 43.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 73.33 110.882 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 133.36 50.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 62.33 110.897 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -114.83 -25.83 8.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 74.14 110.862 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt 61.21 45.1 9.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 75.14 110.844 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.97 161.24 30.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 44.33 111.115 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 74.43 110.915 -179.925 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.435 -0.266 . . . . 72.31 112.435 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 69.5 m -154.44 136.65 14.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.942 0.401 . . . . 55.5 110.906 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -76.73 143.8 39.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 55.45 110.846 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.32 159.58 33.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 72.54 110.892 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.2 p -95.82 146.75 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 63.42 111.178 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -85.37 110.34 19.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 72.54 110.813 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.2 mmt -140.26 152.03 45.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 74.24 110.813 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.489 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -63.99 150.48 45.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.856 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.7 ttm -174.17 157.8 2.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 74.14 110.944 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.641 ' HB3' HD13 ' A' ' 30' ' ' ILE . 9.8 ptmt -128.04 175.04 8.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 73.35 110.911 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -143.79 149.3 36.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 75.11 110.912 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.541 ' N ' HG22 ' A' ' 28' ' ' THR . 46.7 t -72.46 117.37 58.37 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.564 0.697 . . . . 65.43 110.927 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.631 ' HD3' HG22 ' A' ' 29' ' ' VAL . 54.4 Cg_endo -69.78 -5.42 16.18 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.633 2.222 . . . . 72.53 112.372 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -96.71 -42.8 7.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 73.44 110.89 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.5 m -110.08 -56.74 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 74.42 110.916 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.72 31.51 1.33 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.707 -0.758 . . . . 65.33 112.423 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.458 HD12 ' N ' ' A' ' 15' ' ' TYR . 7.4 tp -96.42 130.39 43.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.873 0.368 . . . . 64.32 110.954 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.458 ' N ' HD12 ' A' ' 14' ' ' LEU . 2.5 m-85 -81.21 145.99 30.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 70.11 110.897 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.444 HG22 HG21 ' A' ' 28' ' ' THR . 15.2 t -176.05 -178.93 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.059 -0.518 . . . . 72.15 111.138 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.489 HD21 ' O ' ' A' ' 5' ' ' ARG . 8.7 mt -132.01 3.53 4.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 73.22 110.914 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -80.94 -0.45 39.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 75.22 110.915 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.438 ' O ' HD13 ' A' ' 20' ' ' ILE . 7.0 mt-10 63.17 10.5 4.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 74.52 110.891 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.637 HD13 ' HA ' ' A' ' 27' ' ' LYS . 28.2 mm -143.91 144.02 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 53.15 111.122 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.9 t -88.33 111.79 45.67 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.595 0.712 . . . . 55.25 110.883 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -7.04 20.01 Favored 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.702 2.268 . . . . 71.43 112.399 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -82.58 -61.71 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 74.12 110.879 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.5 p -100.56 -36.56 9.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.26 -0.427 . . . . 43.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.85 27.68 5.06 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.741 -0.742 . . . . 71.11 112.503 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -108.79 138.37 45.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.89 0.376 . . . . 75.51 110.899 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.637 ' HA ' HD13 ' A' ' 20' ' ' ILE . 10.5 mtmt -51.5 141.7 15.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 64.41 110.913 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.541 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.2 p -90.29 159.92 16.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 64.14 111.167 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.631 HG22 ' HD3' ' A' ' 10' ' ' PRO . 16.3 m -137.02 153.59 29.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 72.34 111.145 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.641 HD13 ' HB3' ' A' ' 7' ' ' LYS . 30.0 mm -64.1 113.01 8.75 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.567 0.698 . . . . 72.13 111.181 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 98.71 0.7 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.652 2.234 . . . . 74.55 112.338 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -57.0 160.49 6.02 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.588 0.709 . . . . 74.45 110.885 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 167.79 23.38 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.668 2.246 . . . . 53.13 112.304 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 126.74 13.61 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.667 2.245 . . . . 51.44 112.393 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.14 157.08 6.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 75.13 110.937 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -60.64 -55.53 32.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.424 . . . . 75.42 110.854 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 m -59.93 -38.16 81.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 70.1 110.831 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.3 mt -57.31 -28.66 63.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 70.13 110.929 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -157.58 112.9 2.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 63.35 110.942 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -154.03 175.56 13.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 64.34 110.905 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -42.78 95.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 73.54 110.891 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -102.28 20.13 17.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 75.51 110.851 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.41 -28.81 29.25 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.679 -0.772 . . . . 43.05 112.464 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -85.17 -27.8 25.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.341 . . . . 73.54 110.922 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -53.59 -28.4 31.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 72.41 110.927 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -52.28 -32.81 39.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 73.34 110.822 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 43.5 mtm-85 -55.15 -33.54 63.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 75.45 110.909 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -76.43 -31.58 57.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 52.41 110.87 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.06 -74.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.421 . . . . 73.23 110.928 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -67.74 105.56 1.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.954 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -93.34 -25.45 17.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 74.41 110.878 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.72 -29.23 69.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 63.43 111.164 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.1 tp -125.42 126.13 44.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 42.51 110.93 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -131.92 134.67 45.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 73.15 110.93 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -71.46 156.33 39.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 71.55 110.941 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -93.72 143.21 26.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 73.44 110.949 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -82.62 160.27 22.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 74.11 110.904 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -64.25 -38.16 90.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 60.34 110.95 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.55 135.35 55.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 72.45 111.094 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 75.51 110.893 -179.917 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.457 -0.257 . . . . 61.4 112.457 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 31.2 t -127.44 157.37 40.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.964 0.411 . . . . 53.41 110.814 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -122.69 124.35 43.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 74.23 110.801 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.6 mtt -77.27 -32.01 55.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 72.12 110.864 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.8 m -130.3 139.99 49.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 60.43 111.156 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -115.77 142.2 47.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 55.54 110.848 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.9 tpt -151.93 116.31 5.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 65.13 110.891 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.574 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -56.55 130.66 46.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 60.15 110.882 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.3 ptm -174.33 -178.99 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 73.25 110.887 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.451 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -121.39 171.89 8.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 64.21 110.93 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -139.61 147.73 41.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 73.33 110.875 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.711 ' N ' HG22 ' A' ' 28' ' ' THR . 49.0 t -71.76 117.2 55.56 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.59 0.71 . . . . 43.14 110.884 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -5.38 16.08 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.681 2.254 . . . . 73.43 112.366 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -97.23 -43.15 7.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 63.41 110.912 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.2 m -108.26 -57.22 2.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 60.45 110.918 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.98 24.79 2.42 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 33.31 112.489 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 15' ' ' TYR . 7.7 tp -91.76 132.29 36.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 73.24 110.979 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.476 ' N ' HD12 ' A' ' 14' ' ' LEU . 57.4 m-85 -84.35 147.85 26.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 72.5 110.886 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.525 HG22 HG21 ' A' ' 28' ' ' THR . 14.3 t -175.13 175.4 2.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.039 -0.528 . . . . 72.42 111.13 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.574 HD21 ' O ' ' A' ' 5' ' ' ARG . 2.3 mt -123.8 3.64 8.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 75.1 110.893 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -82.67 -2.31 53.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 54.12 110.904 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 62.3 11.38 4.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 74.42 110.83 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.615 HD13 ' HA ' ' A' ' 27' ' ' LYS . 32.6 mm -145.07 133.64 17.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 64.14 111.118 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.9 t -74.34 114.56 34.74 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.583 0.706 . . . . 61.4 110.881 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 -7.08 20.15 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.637 2.225 . . . . 75.03 112.356 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -85.27 -60.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 75.13 110.861 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.8 p -104.16 -39.94 6.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 71.51 110.833 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.571 ' O ' HG23 ' A' ' 20' ' ' ILE . . . 124.57 -26.05 5.8 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.777 -0.725 . . . . 25.02 112.472 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -49.95 137.5 16.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.876 0.37 . . . . 75.11 110.894 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.615 ' HA ' HD13 ' A' ' 20' ' ' ILE . 12.8 mtmm -60.26 145.12 48.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 61.45 110.866 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.711 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.0 OUTLIER -91.31 147.7 22.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 74.23 111.147 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.7 m -126.65 147.76 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 73.43 111.087 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.451 HD13 ' HB3' ' A' ' 7' ' ' LYS . 44.4 mm -60.92 112.19 5.32 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 64.24 111.136 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -45.95 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.721 2.281 . . . . 73.11 112.319 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.0 pttp -131.99 153.66 81.45 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.577 0.703 . . . . 75.43 110.939 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 167.75 23.51 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.702 2.268 . . . . 71.53 112.414 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -174.41 0.92 Allowed 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.714 2.276 . . . . 40.14 112.33 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -82.2 -45.91 14.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 54.24 110.954 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -119.06 104.8 10.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 75.42 110.893 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.9 t -91.41 -42.5 10.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 72.0 110.863 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 tp -58.9 -21.77 58.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 74.3 110.944 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -99.9 -25.34 14.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 74.13 110.882 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -52.06 103.45 0.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 63.33 110.83 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -63.11 -25.43 68.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 75.11 110.881 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.7 m0 -94.29 20.02 8.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.224 -0.444 . . . . 71.32 110.916 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.37 -30.85 49.97 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.688 -0.767 . . . . 64.33 112.572 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -80.42 -28.56 37.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.744 0.307 . . . . 72.34 110.871 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -57.22 -24.25 53.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.268 -0.424 . . . . 63.12 110.874 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -52.02 -68.73 0.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 72.2 110.8 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.6 ptp85 -53.49 -41.62 66.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 74.2 110.908 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.4 mmt -57.4 -23.8 51.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 64.54 110.861 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.629 ' O ' HD23 ' A' ' 49' ' ' LEU . 3.4 tt -70.69 -23.36 62.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.956 0.408 . . . . 72.21 110.935 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -76.84 152.57 35.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 73.12 110.902 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -108.95 33.82 4.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.816 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -167.21 89.33 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 62.42 111.113 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.0 140.32 30.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 51.31 110.944 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -100.05 26.58 6.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 60.45 110.901 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 52.51 33.07 12.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 72.55 110.857 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -61.73 131.26 49.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 73.12 110.838 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -135.64 144.74 46.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 62.21 110.879 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm 53.42 43.54 31.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 51.44 110.87 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -100.14 142.09 32.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 62.23 111.117 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 74.33 110.914 -179.923 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.423 -0.271 . . . . 51.35 112.423 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 25.3 p -149.97 151.74 33.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 72.02 110.851 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -93.74 178.13 5.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 74.13 110.851 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.4 mtp -87.68 127.69 35.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 62.14 110.833 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.7 m -81.66 156.15 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 63.14 111.129 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -89.32 -29.91 18.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 65.33 110.928 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.77 137.09 38.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 51.12 110.855 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.412 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -51.78 155.58 1.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 75.21 110.864 -179.89 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.5 ptm -174.51 -172.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 73.01 110.855 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.401 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -122.48 168.67 11.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 60.42 110.866 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -138.23 148.86 45.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 72.32 110.906 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.736 ' N ' HG22 ' A' ' 28' ' ' THR . 48.8 t -72.1 116.58 50.11 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.608 0.718 . . . . 73.41 110.865 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -5.24 15.72 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.681 2.254 . . . . 74.25 112.328 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -96.59 -44.67 7.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 64.23 110.883 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.3 m -107.29 -56.74 2.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.252 -0.431 . . . . 64.43 110.904 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.36 27.13 2.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.699 -0.762 . . . . 65.31 112.508 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 15' ' ' TYR . 7.8 tp -92.33 132.77 36.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.836 0.35 . . . . 72.4 110.919 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.481 ' N ' HD12 ' A' ' 14' ' ' LEU . 34.4 m-85 -83.87 145.65 28.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 74.43 110.938 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.478 HG22 HG21 ' A' ' 28' ' ' THR . 15.1 t -175.23 176.52 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.5 . . . . 61.22 111.176 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.412 HD21 ' O ' ' A' ' 5' ' ' ARG . 7.9 mt -126.33 3.42 7.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 61.42 110.898 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -81.13 -2.12 47.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 71.23 110.876 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 62.42 11.11 4.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 62.31 110.892 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.614 HD13 ' HA ' ' A' ' 27' ' ' LYS . 32.6 mm -145.15 133.47 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 73.14 111.184 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.7 t -74.52 114.84 37.85 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.643 0.735 . . . . 73.33 110.83 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.45 ' HD2' HD23 ' A' ' 14' ' ' LEU . 54.4 Cg_endo -69.72 -6.96 19.82 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.649 2.233 . . . . 73.32 112.364 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.03 -60.32 2.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 74.41 110.905 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.2 p -104.82 -39.93 6.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 63.21 110.911 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.564 ' O ' HG23 ' A' ' 20' ' ' ILE . . . 124.08 -26.76 5.78 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.794 -0.717 . . . . 74.12 112.469 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -49.14 133.65 18.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.943 0.401 . . . . 75.53 110.916 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.614 ' HA ' HD13 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -57.12 145.37 31.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 71.34 110.874 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.736 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.0 OUTLIER -91.75 150.2 21.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 43.13 111.05 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.9 m -129.16 149.72 33.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 64.12 111.081 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.548 HG22 ' H ' ' A' ' 32' ' ' LYS . 45.4 mm -61.25 112.17 5.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.594 0.712 . . . . 64.14 111.066 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -8.75 24.4 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.657 2.238 . . . . 71.45 112.377 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.548 ' H ' HG22 ' A' ' 30' ' ' ILE . 23.9 mtmt -125.64 75.88 69.99 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.578 0.704 . . . . 75.53 110.894 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 167.5 24.2 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.67 2.247 . . . . 61.41 112.435 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -172.77 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.681 2.254 . . . . 73.51 112.343 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.93 147.16 35.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 73.22 110.92 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -70.39 -33.69 71.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.32 110.828 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.28 155.26 25.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.482 . . . . 73.02 110.896 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.5 mt -68.4 -34.31 75.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 71.15 110.874 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -146.55 106.98 4.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 75.41 110.914 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -105.7 146.53 29.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 74.51 110.806 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -62.52 -64.7 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 72.13 110.825 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -104.79 -23.55 13.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 75.52 110.839 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.52 -84.79 0.26 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.786 -0.721 . . . . 62.44 112.488 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.8 pttt -52.34 -29.82 25.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.351 . . . . 74.3 110.904 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -57.34 -28.22 62.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 70.41 110.922 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -52.03 -42.81 63.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 73.53 110.871 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -67.11 -42.59 84.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 74.22 110.874 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -23.3 67.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 72.54 110.861 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.521 ' O ' HD23 ' A' ' 49' ' ' LEU . 4.8 tt -52.64 -29.04 24.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.929 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.81 125.75 15.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 73.35 110.887 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -124.64 170.94 10.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 64.41 110.896 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.9 -32.09 27.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 72.04 111.113 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.03 115.35 19.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.43 . . . . 74.15 110.916 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.79 125.11 48.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 73.54 110.898 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -54.9 150.55 9.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 63.34 110.937 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -59.82 160.46 7.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 73.35 110.865 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -101.0 118.62 37.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 75.23 110.878 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.6 tptm -147.72 126.46 12.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 70.21 110.875 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.64 138.42 34.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 71.45 111.133 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 73.35 110.955 -179.951 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.521 -0.232 . . . . 62.14 112.521 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.3 m -85.08 143.92 28.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.962 0.41 . . . . 71.01 110.846 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 30.1 m80 -129.88 168.78 16.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 71.42 110.806 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ptm -55.55 143.3 30.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 63.52 110.841 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.6 p -151.62 135.62 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 61.34 111.155 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -83.23 111.97 19.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 72.23 110.924 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.16 159.24 31.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.855 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.78 -15.31 61.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 72.32 110.864 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.576 ' HA ' HD23 ' A' ' 17' ' ' LEU . 2.7 ttt -51.46 138.76 21.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 62.12 110.898 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.24 177.1 4.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 62.32 110.872 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -136.88 145.59 44.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 63.43 110.912 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.666 ' N ' HG22 ' A' ' 28' ' ' THR . 45.8 t -72.12 116.7 51.34 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-O 121.618 0.723 . . . . 44.32 110.875 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.478 ' HD3' HG22 ' A' ' 29' ' ' VAL . 53.5 Cg_endo -69.72 -5.41 16.13 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.765 2.31 . . . . 73.45 112.284 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -96.58 -41.93 8.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 71.32 110.92 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.2 m -111.61 -57.07 2.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 74.52 110.869 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.93 26.86 2.0 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 52.23 112.41 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.484 HD12 ' N ' ' A' ' 15' ' ' TYR . 8.3 tp -91.58 134.97 34.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 73.31 110.901 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.484 ' N ' HD12 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -85.27 144.14 28.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 71.13 110.973 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.494 HG22 HG21 ' A' ' 28' ' ' THR . 13.2 t -175.25 170.4 3.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 64.54 111.16 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.576 HD23 ' HA ' ' A' ' 6' ' ' MET . 1.4 mt -120.04 2.18 10.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 72.4 110.92 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -78.86 -3.17 43.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.93 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 63.9 9.64 4.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 63.13 110.808 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.599 HD13 ' HA ' ' A' ' 27' ' ' LYS . 26.9 mm -144.1 137.07 23.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 73.24 111.136 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.2 t -78.29 114.02 39.01 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.662 0.744 . . . . 72.04 110.879 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.439 ' HD2' HD23 ' A' ' 14' ' ' LEU . 53.6 Cg_endo -69.74 -6.74 19.3 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.727 2.284 . . . . 74.21 112.361 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.23 -60.31 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 75.02 110.975 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.7 p -103.37 -39.38 6.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 64.15 110.893 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.532 ' O ' HG23 ' A' ' 20' ' ' ILE . . . 123.1 -25.94 6.25 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 73.31 112.547 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -51.34 142.72 12.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.953 0.406 . . . . 74.22 110.855 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.599 ' HA ' HD13 ' A' ' 20' ' ' ILE . 12.3 mtmt -65.61 144.46 56.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 75.11 110.88 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.666 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.1 p -87.48 151.31 23.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.277 -0.42 . . . . 74.32 111.133 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.478 HG22 ' HD3' ' A' ' 10' ' ' PRO . 13.7 m -131.18 159.91 42.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 71.04 111.146 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.9 mm -62.96 113.12 8.24 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.664 0.745 . . . . 65.12 111.165 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -48.9 0.62 Allowed 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.631 2.22 . . . . 62.55 112.332 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -128.26 157.46 74.34 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.634 0.731 . . . . 63.44 110.882 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 167.28 24.89 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.737 2.291 . . . . 73.03 112.332 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 126.27 13.11 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.655 2.237 . . . . 64.23 112.275 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.75 122.01 24.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 72.31 110.896 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -160.48 105.24 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 70.51 110.838 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.3 p -156.19 107.69 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 71.55 110.843 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.539 ' O ' HD23 ' A' ' 38' ' ' LEU . 4.3 tt -90.99 -29.09 17.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 71.43 110.931 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -80.91 -24.08 38.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 75.35 110.902 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -59.47 97.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 72.5 110.881 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -67.42 -42.65 82.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 73.55 110.854 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -104.97 -24.13 12.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.151 -0.477 . . . . 73.42 110.968 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.34 -85.28 0.25 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 71.34 112.509 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -51.87 -30.21 22.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.776 0.322 . . . . 74.35 110.867 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -52.63 -35.2 54.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 71.52 110.898 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.612 ' O ' HD23 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -59.24 -44.51 92.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 42.14 110.859 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -38.99 70.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 73.13 110.826 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.1 tpt -111.52 35.54 3.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 73.01 110.936 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 46' ' ' ARG . 1.6 pp -75.81 -17.01 60.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 43.32 110.945 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -88.81 168.36 12.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 74.33 110.86 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.0 mmt85 -113.03 -27.17 8.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 72.01 110.873 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.6 119.69 39.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 72.42 111.088 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.3 tp -157.52 134.03 9.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 73.41 110.946 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.84 -28.62 10.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 73.41 110.964 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -80.69 108.78 14.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 64.44 110.868 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.2 ptpp? -100.37 152.92 19.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 71.23 110.904 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -157.22 107.59 2.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 64.4 110.894 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.56 -46.33 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 63.34 110.885 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -139.15 158.62 43.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 34.5 111.11 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 74.22 110.906 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 N-CA-C 112.54 -0.224 . . . . 71.15 112.54 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -1' ' ' SER . . . . . 0.594 ' HB2' HG22 ' A' ' 2' ' ' VAL . 4.2 m -117.72 167.39 11.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.938 0.399 . . . . 73.04 110.85 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -84.74 -35.94 22.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 74.34 110.903 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt -60.9 -31.93 71.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 73.12 110.852 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.594 HG22 ' HB2' ' A' ' -1' ' ' SER . 11.4 m -112.09 158.03 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 72.0 111.109 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -139.11 148.87 43.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 74.51 110.913 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 7.6 mtt -94.18 164.03 13.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 73.02 110.895 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.651 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -68.82 121.28 16.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 73.33 110.853 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 77.6 mtp -153.72 155.66 36.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 61.32 110.895 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.12 171.82 7.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 72.11 110.864 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -147.39 148.41 31.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 63.33 110.922 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.8 t -72.57 118.31 66.66 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.663 0.744 . . . . 70.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.62 ' HD3' HG22 ' A' ' 29' ' ' VAL . 53.7 Cg_endo -69.84 -5.65 16.77 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.629 2.219 . . . . 72.11 112.361 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.42 -46.9 5.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 64.3 110.842 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.2 m -102.98 -56.38 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 61.42 110.864 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 117.01 30.03 2.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 75.33 112.49 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 15' ' ' TYR . 6.0 tp -95.66 131.7 41.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.836 0.351 . . . . 71.12 110.892 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.455 ' N ' HD12 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -81.61 149.81 28.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 43.22 110.941 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -175.92 -179.3 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 62.34 111.157 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.651 HD21 ' O ' ' A' ' 5' ' ' ARG . 6.2 mt -131.92 3.32 4.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 53.31 111.005 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -84.51 2.37 41.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 74.33 110.846 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.454 ' O ' HD13 ' A' ' 20' ' ' ILE . 2.3 mt-10 60.67 13.36 4.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 74.23 110.842 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.749 HD13 ' HA ' ' A' ' 27' ' ' LYS . 30.0 mm -143.74 145.72 21.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 74.4 111.117 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.2 t -90.34 113.43 57.45 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 63.35 110.871 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -8.25 23.12 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.697 2.265 . . . . 71.43 112.364 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -80.84 -60.41 2.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 73.24 110.895 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.5 p -100.96 -40.89 7.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 73.53 110.938 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.43 52.12 0.78 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.67 -0.776 . . . . 74.44 112.417 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.53 151.05 52.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.903 0.382 . . . . 72.45 110.837 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.749 ' HA ' HD13 ' A' ' 20' ' ' ILE . 20.6 ttpp -60.25 122.08 13.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 73.33 110.915 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 p -73.82 164.33 26.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 74.31 111.131 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.62 HG22 ' HD3' ' A' ' 10' ' ' PRO . 14.4 m -136.08 154.95 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 71.13 111.179 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.9 mm -65.94 113.27 11.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.586 0.708 . . . . 70.52 111.131 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -49.32 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 2.239 . . . . 72.22 112.402 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -126.68 160.0 60.87 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.58 0.705 . . . . 72.24 110.847 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 167.68 23.62 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.701 2.267 . . . . 72.22 112.327 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.79 -41.23 4.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.678 2.252 . . . . 74.13 112.386 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.45 151.05 33.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 54.33 110.959 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.509 ' HB3' HD23 ' A' ' 38' ' ' LEU . 95.3 m-85 -55.62 -73.0 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 75.52 110.924 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.75 40.95 15.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 72.42 110.852 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.509 HD23 ' HB3' ' A' ' 36' ' ' PHE . 4.2 mm? -81.01 -25.56 37.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 73.43 110.889 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -101.98 -24.52 13.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 73.32 110.944 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -51.87 138.08 24.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 73.54 110.824 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -59.2 -35.97 74.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 74.12 110.837 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -94.32 20.08 8.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 75.25 110.94 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.98 -30.8 38.39 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.758 -0.734 . . . . 72.43 112.421 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -87.54 -25.18 23.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.791 0.329 . . . . 72.02 110.893 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -53.87 -27.93 33.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 65.05 110.953 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 60.4 ttt-85 -58.67 -36.29 73.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 61.32 110.921 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -62.7 -33.05 74.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 72.4 110.872 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.7 mmt -84.35 -24.53 29.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 62.1 110.92 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.4 tt -51.97 -67.6 0.24 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 64.54 110.908 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -73.39 125.51 28.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 73.33 110.914 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -100.93 171.91 7.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.299 -0.409 . . . . 65.5 110.881 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 64.02 36.52 9.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 72.12 111.09 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.77 -31.01 59.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 74.42 110.867 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -84.57 124.58 31.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 74.44 110.91 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -161.76 161.91 29.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.436 . . . . 73.44 110.946 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -60.04 170.03 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 65.41 110.932 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.0 p30 -136.89 165.81 25.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 75.21 110.882 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -62.2 154.73 26.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 71.52 110.881 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.37 -38.05 71.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 71.31 111.137 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 64.11 110.84 -179.868 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.542 -0.223 . . . . 61.3 112.542 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.8 m -139.89 136.58 34.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 75.32 110.851 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -53.47 -39.98 64.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 75.51 110.847 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.5 ttt -83.83 151.63 25.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 72.1 110.893 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.2 p -61.03 144.74 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 74.41 111.187 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -86.05 110.43 19.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 70.44 110.894 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.55 -28.72 24.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 71.53 110.87 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.89 160.02 2.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.819 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.2 ptm -174.18 -169.5 0.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 71.54 110.891 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.656 ' HB3' HD13 ' A' ' 30' ' ' ILE . 7.4 ptmt -128.33 170.62 12.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 63.44 110.918 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.1 ttpt -140.01 149.58 43.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 73.4 110.859 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.666 ' N ' HG22 ' A' ' 28' ' ' THR . 46.4 t -72.46 116.48 49.84 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 54.21 110.855 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.459 ' HD3' HG22 ' A' ' 29' ' ' VAL . 53.3 Cg_endo -69.79 -5.59 16.58 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.657 2.238 . . . . 54.1 112.339 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.21 -45.43 7.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 65.22 110.872 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.3 m -107.73 -56.33 2.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 64.55 110.882 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.63 29.17 1.61 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.76 -0.733 . . . . 52.52 112.493 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' ' 15' ' ' TYR . 8.1 tp -93.77 132.09 38.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.363 . . . . 64.05 110.94 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.456 ' N ' HD12 ' A' ' 14' ' ' LEU . 30.2 m-85 -83.4 144.57 29.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 72.2 110.914 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.438 HG22 HG21 ' A' ' 28' ' ' THR . 15.2 t -175.36 179.58 1.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 61.35 111.166 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.8 mt -129.86 3.2 4.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 74.43 110.94 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -79.02 -3.26 44.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 73.42 110.931 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 64.39 8.96 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 75.43 110.884 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.633 HD13 ' HA ' ' A' ' 27' ' ' LYS . 31.9 mm -144.95 133.95 17.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 71.35 111.163 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.1 t -75.21 114.3 34.03 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.684 0.754 . . . . 75.15 110.846 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.438 ' HD2' HD23 ' A' ' 14' ' ' LEU . 52.8 Cg_endo -69.75 -6.52 18.79 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.707 2.272 . . . . 50.2 112.292 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.64 -60.82 1.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 74.23 110.916 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.9 p -102.55 -38.83 7.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 63.35 110.906 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.568 ' O ' HG23 ' A' ' 20' ' ' ILE . . . 122.42 -26.8 6.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.757 . . . . 73.12 112.509 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -50.83 142.8 10.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.967 0.413 . . . . 73.2 110.929 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.633 ' HA ' HD13 ' A' ' 20' ' ' ILE . 9.8 mtmm -64.5 145.07 56.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 55.01 110.887 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.666 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.0 OUTLIER -89.32 155.21 19.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 54.34 111.102 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.459 HG22 ' HD3' ' A' ' 10' ' ' PRO . 11.5 m -133.02 150.75 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 75.25 111.178 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.656 HD13 ' HB3' ' A' ' 7' ' ' LYS . 33.2 mm -62.95 112.58 7.04 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.564 0.697 . . . . 73.0 111.097 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 111.43 2.81 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.674 2.25 . . . . 64.31 112.381 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.07 159.87 5.3 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.546 0.688 . . . . 63.4 110.96 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 167.72 23.58 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.611 2.207 . . . . 75.22 112.373 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -42.94 2.97 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 55.11 112.321 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.03 -170.08 2.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.29 -0.414 . . . . 73.1 110.904 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -53.57 -29.29 36.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 53.4 110.919 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 m -101.76 175.44 5.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 53.05 110.858 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.6 mt -80.49 -36.05 33.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.066 -0.516 . . . . 74.01 110.879 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -146.47 118.43 8.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 72.01 110.873 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.8 p30 -111.96 21.98 15.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 75.21 110.869 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.4 mmp_? -68.0 -67.77 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 75.43 110.909 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -104.16 -21.4 13.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 72.14 110.892 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.47 -85.54 0.26 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.687 -0.768 . . . . 62.44 112.529 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -52.11 -29.8 23.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.782 0.325 . . . . 71.42 110.947 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -56.92 -29.53 63.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 75.32 110.893 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -51.91 -31.8 30.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.917 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.3 ttm-85 -51.51 -68.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 43.42 110.899 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -54.03 -27.58 32.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 71.22 110.908 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.576 HD12 ' HB2' ' A' ' 51' ' ' ARG . 0.3 OUTLIER -64.11 -31.47 72.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.235 -0.439 . . . . 72.31 110.951 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm 52.04 43.64 30.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 63.25 110.925 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.576 ' HB2' HD12 ' A' ' 49' ' ' LEU . 4.8 tpt180 -81.15 130.29 34.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 71.23 110.854 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 60.05 34.77 21.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 73.01 111.121 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.01 -32.41 24.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 70.32 110.919 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -103.8 -31.88 9.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 71.33 110.87 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -108.2 172.26 6.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 73.05 110.876 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.55 114.34 16.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 64.31 110.907 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -91.84 110.56 21.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 71.1 110.835 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -140.34 142.18 35.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 71.4 110.865 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.56 -41.83 75.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 71.32 111.071 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 74.44 110.85 -179.864 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.482 -0.247 . . . . 64.35 112.482 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 38.6 t -86.83 -15.62 38.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.912 0.387 . . . . 61.14 110.812 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -51.76 -42.46 62.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 75.12 110.934 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mtm -70.55 125.34 26.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 72.35 110.959 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 20.0 t -98.87 143.54 13.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 62.02 111.116 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -94.45 113.06 24.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 75.13 110.894 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -51.99 143.62 13.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 72.03 110.871 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.84 155.69 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 70.3 110.864 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.3 ptm -174.56 -169.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 64.02 110.867 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.596 ' HB3' HD13 ' A' ' 30' ' ' ILE . 9.0 ptmt -127.72 175.46 8.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 73.23 110.902 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -144.88 149.2 34.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 74.52 110.882 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.536 ' N ' HG22 ' A' ' 28' ' ' THR . 48.9 t -72.39 116.59 50.8 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.635 0.731 . . . . 73.41 110.933 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.647 ' HD3' HG22 ' A' ' 29' ' ' VAL . 54.0 Cg_endo -69.82 -6.02 17.63 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.708 2.272 . . . . 71.41 112.295 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -95.47 -44.58 7.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 73.54 110.915 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.0 m -107.89 -57.01 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 73.43 110.857 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.16 28.23 1.7 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 32.21 112.407 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 15' ' ' TYR . 8.8 tp -92.69 131.19 37.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.806 0.336 . . . . 73.34 110.919 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.44 ' N ' HD12 ' A' ' 14' ' ' LEU . 34.9 m-85 -83.73 144.39 29.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 75.42 110.901 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.427 HG22 HG21 ' A' ' 28' ' ' THR . 15.3 t -175.27 -179.56 1.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.069 -0.514 . . . . 62.43 111.116 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 mt -131.04 4.06 4.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 61.41 110.92 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt -80.52 -0.47 37.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 61.44 110.919 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.439 ' O ' HD13 ' A' ' 20' ' ' ILE . 6.0 mt-10 63.57 10.22 4.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 61.03 110.835 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.632 HD13 ' HA ' ' A' ' 27' ' ' LYS . 28.1 mm -143.96 145.2 22.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 73.04 111.12 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.6 t -90.31 111.17 45.61 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.648 0.737 . . . . 61.24 110.923 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -6.71 19.22 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 73.21 112.393 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.76 -60.21 2.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.892 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.7 p -101.92 -36.15 8.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 70.41 110.918 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.09 28.4 4.97 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.708 -0.758 . . . . 51.01 112.482 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -110.3 137.67 47.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.015 0.436 . . . . 65.21 110.852 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.632 ' HA ' HD13 ' A' ' 20' ' ' ILE . 13.8 mttm -50.62 142.17 11.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 74.53 110.879 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.536 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.2 p -90.68 159.11 16.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 74.54 111.134 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.647 HG22 ' HD3' ' A' ' 10' ' ' PRO . 13.2 m -136.46 153.79 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 64.32 111.099 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.596 HD13 ' HB3' ' A' ' 7' ' ' LYS . 33.4 mm -63.63 113.07 8.6 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.697 0.761 . . . . 72.31 111.081 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 105.75 1.54 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.243 . . . . 55.05 112.336 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.63 160.57 9.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 54.12 110.912 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 167.63 23.82 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.654 2.236 . . . . 74.41 112.364 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.81 177.62 5.43 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.694 2.262 . . . . 62.43 112.282 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.03 121.2 39.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 73.35 110.922 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -147.62 103.84 3.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 74.34 110.834 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 t -163.54 174.71 11.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 75.23 110.827 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.3 tt -108.54 -31.18 7.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 51.34 110.89 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -64.71 -32.93 74.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 73.11 110.86 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -89.77 103.48 16.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 70.32 110.882 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.66 -74.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 54.32 110.826 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -97.6 19.41 13.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 72.33 110.855 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.9 -30.85 54.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.681 -0.771 . . . . 43.12 112.489 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -64.95 -19.17 65.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.741 0.305 . . . . 71.55 110.885 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -53.23 -33.29 52.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 75.13 110.953 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -56.07 -24.8 42.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 73.1 110.862 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -87.17 -41.47 13.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 55.42 110.876 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.1 mmt -101.46 35.1 2.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 63.34 110.927 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -64.57 -26.61 68.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 72.32 110.934 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -91.82 135.92 33.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 70.15 110.882 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.6 mmm-85 -101.83 30.49 4.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 73.44 110.954 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.54 -47.5 13.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 63.2 111.107 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 tp -85.51 137.67 32.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 73.22 110.943 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -121.39 138.49 54.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 75.32 110.852 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -80.5 112.63 18.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 64.21 110.9 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.43 -18.69 15.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 65.21 110.81 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -90.72 156.03 18.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 71.4 110.854 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -112.46 118.02 34.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 64.53 110.958 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -116.39 150.72 37.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 73.43 111.073 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.292 -0.413 . . . . 74.15 110.962 -179.963 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.512 -0.235 . . . . 72.35 112.512 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 20.9 t -98.34 127.45 44.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.94 0.4 . . . . 54.2 110.836 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' HIS . . . . . 0.401 ' O ' HG13 ' A' ' 2' ' ' VAL . 42.4 t60 -115.04 -25.47 8.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 73.05 110.795 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.4 tpp -52.36 121.24 6.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 71.14 110.911 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 0' ' ' HIS . 16.3 m -129.63 144.69 37.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 51.13 111.143 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 54.28 36.45 25.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 75.23 110.957 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.45 177.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 74.32 110.862 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.425 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -170.77 158.79 6.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 63.25 110.88 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.7 ptm -174.4 -170.93 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 45.51 110.823 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.519 ' HB3' HD13 ' A' ' 30' ' ' ILE . 4.4 ptmt -127.65 177.25 6.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 65.52 110.876 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -145.92 148.85 33.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 63.52 110.957 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.583 ' N ' HG22 ' A' ' 28' ' ' THR . 49.3 t -72.19 116.78 52.37 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.564 0.697 . . . . 71.42 110.904 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.5 ' HD3' HG22 ' A' ' 29' ' ' VAL . 54.1 Cg_endo -69.71 -6.0 17.53 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.789 2.326 . . . . 74.13 112.318 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.89 -45.16 7.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 63.23 110.862 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.6 m -106.59 -56.59 2.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 73.1 110.876 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.77 29.58 1.67 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.713 -0.756 . . . . 65.23 112.513 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 15' ' ' TYR . 7.5 tp -95.76 131.17 42.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.795 0.331 . . . . 70.14 111.004 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.463 ' N ' HD12 ' A' ' 14' ' ' LEU . 46.5 m-85 -82.88 146.22 29.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 75.01 110.9 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -174.48 -179.37 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 44.21 111.186 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.425 HD21 ' O ' ' A' ' 5' ' ' ARG . 8.0 mt -129.98 2.68 4.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 72.1 110.894 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -80.14 -1.5 40.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 75.24 110.818 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 65.05 7.99 4.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 74.13 110.925 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.731 HD13 ' HA ' ' A' ' 27' ' ' LYS . 27.4 mm -144.13 143.37 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.25 111.19 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.7 t -82.9 112.8 40.87 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.646 0.736 . . . . 65.2 110.898 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -5.32 15.95 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.713 2.275 . . . . 72.45 112.362 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.74 -61.44 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 44.44 110.914 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.5 p -99.8 -36.66 9.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 71.15 110.908 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.99 30.37 5.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 54.52 112.489 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -108.29 139.47 42.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.003 0.43 . . . . 64.01 110.856 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.731 ' HA ' HD13 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -50.62 137.03 20.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 73.54 110.965 179.866 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.583 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.2 p -90.68 161.36 15.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 61.31 111.092 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.5 HG22 ' HD3' ' A' ' 10' ' ' PRO . 17.6 m -138.94 154.3 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 54.32 111.138 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.519 HD13 ' HB3' ' A' ' 7' ' ' LYS . 33.0 mm -63.5 112.8 7.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.649 0.738 . . . . 74.2 111.177 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 118.86 5.93 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.705 2.27 . . . . 63.2 112.285 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -130.18 75.61 79.06 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.594 0.711 . . . . 74.21 110.926 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 167.71 23.69 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.634 2.223 . . . . 63.43 112.388 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -179.08 2.67 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.687 2.258 . . . . 63.11 112.39 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.88 127.34 31.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 74.52 110.905 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -58.19 101.45 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 64.05 110.893 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -127.44 109.81 12.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 75.42 110.851 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.41 -28.84 68.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 73.22 110.935 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -109.18 -33.36 6.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 73.42 110.854 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 t0 53.22 40.65 31.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 74.33 110.905 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -60.09 -43.4 95.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 73.41 110.89 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 21.2 m95 -104.15 20.1 18.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.187 -0.461 . . . . 74.32 110.923 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.03 -30.39 30.43 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.825 -0.702 . . . . 73.52 112.456 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.8 mtmt -88.06 -29.49 20.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 72.33 110.924 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -52.42 -31.22 33.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 62.24 110.933 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -57.89 -65.75 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 74.12 110.934 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -55.01 -39.22 68.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 72.21 110.841 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.1 mmt -62.79 -25.23 68.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 73.45 110.783 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.417 ' O ' HD23 ' A' ' 49' ' ' LEU . 1.4 tt -81.3 -20.72 40.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.437 . . . . 70.05 110.907 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.31 104.73 6.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 70.14 110.941 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.2 ptt-85 -113.08 -26.79 8.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 63.01 110.897 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -92.61 -58.26 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 73.41 111.141 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.7 tp -71.09 119.25 14.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.481 . . . . 71.13 110.888 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -122.69 137.02 55.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 74.03 110.911 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -86.56 116.66 24.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 74.33 110.865 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -85.96 167.03 15.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 73.54 110.854 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -89.62 117.24 28.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 73.31 110.83 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -88.12 175.02 7.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 72.42 110.881 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.71 -61.03 2.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 55.23 111.123 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 70.34 110.936 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.501 -0.24 . . . . 55.34 112.501 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 5.2 t -165.48 156.96 14.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.924 0.392 . . . . 31.44 110.823 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -87.16 111.77 21.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.065 -0.516 . . . . 71.42 110.801 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 mmt -86.65 -26.86 24.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 65.43 110.862 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.835 HG22 ' HG3' ' A' ' 3' ' ' GLU . 14.9 p -70.11 132.8 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 72.25 111.109 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.835 ' HG3' HG22 ' A' ' 2' ' ' VAL . 19.4 mt-10 51.97 57.41 6.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.911 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.5 ttt -128.19 126.18 40.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 73.52 110.928 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.447 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -57.11 157.52 5.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 70.33 110.904 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.456 ' HE3' HD11 ' A' ' 17' ' ' LEU . 9.0 ttm -175.22 159.13 2.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 75.13 110.865 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.511 ' HB3' HD13 ' A' ' 30' ' ' ILE . 7.5 ptmt -128.92 173.24 10.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 63.1 110.907 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -143.47 149.27 37.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.277 -0.419 . . . . 74.34 110.86 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.631 ' N ' HG22 ' A' ' 28' ' ' THR . 47.6 t -72.02 117.15 55.59 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.623 0.725 . . . . 74.52 110.912 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.538 ' HD3' HG22 ' A' ' 29' ' ' VAL . 53.6 Cg_endo -69.77 -5.78 17.02 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.72 2.28 . . . . 71.45 112.322 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.65 -44.84 7.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 73.2 110.882 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.0 m -108.43 -56.07 2.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 74.13 110.949 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.89 34.73 1.02 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 25.2 112.495 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.432 HD23 ' HD2' ' A' ' 22' ' ' PRO . 8.5 tp -98.36 129.52 45.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 74.22 110.91 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.431 ' N ' HD12 ' A' ' 14' ' ' LEU . 3.1 m-85 -81.88 144.89 30.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 75.03 110.929 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -176.02 -179.77 1.19 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.479 . . . . 72.32 111.16 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.456 HD11 ' HE3' ' A' ' 6' ' ' MET . 1.4 mt -128.55 0.49 5.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 72.5 110.924 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -77.42 -3.3 39.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 71.13 110.891 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 64.92 8.32 4.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.243 -0.435 . . . . 74.41 110.888 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.444 HD13 ' HA ' ' A' ' 27' ' ' LYS . 13.0 mm -141.03 143.39 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 61.1 111.153 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.9 t -87.6 111.39 41.51 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.65 0.738 . . . . 72.21 110.888 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.432 ' HD2' HD23 ' A' ' 14' ' ' LEU . 53.5 Cg_endo -69.7 -6.67 19.12 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 61.22 112.337 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.79 -59.34 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.428 . . . . 75.54 110.886 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.5 p -104.2 -36.78 7.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 45.05 110.849 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.99 28.75 4.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.726 . . . . 72.22 112.526 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -107.98 139.61 42.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 70.44 110.924 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.444 ' HA ' HD13 ' A' ' 20' ' ' ILE . 1.1 mptp? -52.08 139.76 22.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 71.43 110.964 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.631 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.1 p -91.14 154.88 19.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.25 -0.432 . . . . 71.11 111.134 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.538 HG22 ' HD3' ' A' ' 10' ' ' PRO . 17.4 m -132.85 154.27 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 71.52 111.212 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.526 HG22 ' H ' ' A' ' 32' ' ' LYS . 33.7 mm -62.8 112.31 6.46 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.572 0.701 . . . . 64.42 111.148 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -9.97 27.43 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.635 2.223 . . . . 61.21 112.367 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.526 ' H ' HG22 ' A' ' 30' ' ' ILE . 2.8 mmpt? -93.83 158.84 35.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.552 0.691 . . . . 71.23 110.866 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 167.86 23.26 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.632 2.221 . . . . 32.34 112.317 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -41.1 4.47 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 72.44 112.327 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -56.42 -30.42 62.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 63.54 110.927 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -52.59 102.84 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 74.24 110.911 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -148.1 167.83 23.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 64.25 110.85 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.432 ' H ' HD23 ' A' ' 38' ' ' LEU . 1.9 pt? -54.59 -27.16 37.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 71.45 110.892 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -132.27 138.01 47.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 73.31 110.961 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -139.05 125.59 20.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 64.03 110.861 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -60.38 -28.36 68.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 75.51 110.924 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 23.0 m95 -99.45 20.03 14.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 74.42 110.937 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.28 -31.98 35.84 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.737 . . . . 74.22 112.539 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -88.04 -26.01 22.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 70.32 110.887 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -54.59 -27.07 36.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 54.2 110.951 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.1 tpp85 -52.14 -30.12 25.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.076 -0.511 . . . . 75.05 110.868 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.6 mtt-85 -56.76 -32.07 65.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 73.01 110.886 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.6 mmt -99.29 -30.82 12.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 64.01 110.925 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.441 ' O ' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -53.54 -28.82 33.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 73.41 110.899 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 100.59 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 71.31 110.918 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 74.4 mtt180 -63.79 -73.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 73.02 110.907 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -152.59 111.67 3.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 73.03 111.065 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 58.22 38.73 26.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 74.3 110.945 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -88.15 -32.93 18.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 65.45 110.865 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -156.53 115.17 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 65.03 110.919 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 139.04 57.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 64.23 110.938 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -51.89 -57.69 8.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 60.32 110.883 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -140.9 152.69 45.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 72.14 110.92 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.69 -40.1 84.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 65.51 111.112 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 72.1 110.922 -179.943 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.52 -0.232 . . . . 74.13 112.52 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 25.2 p -68.81 118.9 12.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.926 0.393 . . . . 74.53 110.833 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -65.43 143.9 57.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.486 . . . . 72.4 110.885 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.0 mtt -116.59 176.03 5.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 75.35 110.926 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.5 p -91.04 147.42 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 73.2 111.171 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -62.02 178.67 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 63.21 110.872 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.8 mmt -138.39 136.6 36.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.132 -0.485 . . . . 74.02 110.842 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -63.1 -31.9 73.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 74.54 110.88 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.1 ttt -73.8 157.54 36.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 71.23 110.945 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.639 ' HB3' HD13 ' A' ' 30' ' ' ILE . 8.5 ptmt -130.66 174.79 9.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.257 -0.429 . . . . 65.43 110.911 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -141.37 148.87 40.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 53.01 110.846 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.689 ' N ' HG22 ' A' ' 28' ' ' THR . 47.2 t -71.73 117.25 55.94 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.628 0.728 . . . . 72.42 110.85 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.531 ' HD3' HG22 ' A' ' 29' ' ' VAL . 53.8 Cg_endo -69.74 -5.91 17.33 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.67 2.247 . . . . 63.44 112.336 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.2 -42.8 8.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 61.32 110.888 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.7 m -109.8 -56.99 2.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 54.05 110.798 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.67 31.6 1.33 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.766 -0.731 . . . . 64.15 112.507 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 15' ' ' TYR . 6.7 tp -97.26 130.92 44.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.793 0.33 . . . . 73.14 110.92 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.468 ' N ' HD12 ' A' ' 14' ' ' LEU . 1.1 m-85 -80.32 145.46 32.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 63.5 110.881 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.484 HG22 HG21 ' A' ' 28' ' ' THR . 15.1 t -175.68 174.68 2.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 72.33 111.157 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 mt -125.31 2.77 7.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 72.14 110.844 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -80.38 -2.73 46.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 72.14 110.886 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 63.18 10.33 4.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 73.42 110.847 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.636 HD13 ' HA ' ' A' ' 27' ' ' LYS . 32.0 mm -144.79 134.1 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 73.41 111.08 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.2 t -74.86 114.63 36.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.562 0.696 . . . . 64.14 110.848 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.411 ' HD2' HD23 ' A' ' 14' ' ' LEU . 53.9 Cg_endo -69.78 -5.62 16.65 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.685 2.257 . . . . 61.1 112.337 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.59 -61.97 1.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 71.53 110.837 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.3 p -100.92 -37.79 8.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 70.04 110.87 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.582 ' O ' HG23 ' A' ' 20' ' ' ILE . . . 120.46 -26.8 6.84 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.628 -0.796 . . . . 64.03 112.499 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -50.75 141.57 12.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.993 0.425 . . . . 52.21 110.813 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.636 ' HA ' HD13 ' A' ' 20' ' ' ILE . 12.0 mtmt -63.51 143.92 57.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 72.42 110.868 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.689 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.0 OUTLIER -87.24 158.16 19.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.283 -0.417 . . . . 64.34 111.106 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.531 HG22 ' HD3' ' A' ' 10' ' ' PRO . 16.0 m -136.42 155.22 33.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 61.34 111.186 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.639 HD13 ' HB3' ' A' ' 7' ' ' LYS . 24.1 mm -63.43 112.57 7.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 64.12 111.133 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 84.92 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.669 2.246 . . . . 65.34 112.322 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.5 mtmm -62.03 160.55 29.07 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.523 0.678 . . . . 61.14 110.934 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 167.75 23.57 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.664 2.242 . . . . 61.24 112.308 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -179.32 2.83 Favored 'Trans proline' 0 N--CA 1.465 -0.202 0 C-N-CA 122.695 2.264 . . . . 74.31 112.382 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -67.74 155.23 39.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 65.34 110.918 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -110.91 -28.22 8.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 71.12 110.953 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 m -128.63 164.41 22.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 74.34 110.87 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.61 -26.53 65.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 75.23 110.911 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -122.91 118.22 27.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 75.11 110.914 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -124.13 152.73 42.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 72.34 110.865 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -58.91 -66.77 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 73.03 110.859 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -101.07 -24.09 14.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 61.13 110.94 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.8 -27.86 45.11 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.676 -0.773 . . . . 24.04 112.498 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -68.59 -31.24 70.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 64.15 110.904 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -57.99 -24.81 59.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 62.24 110.936 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -31.04 31.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 72.23 110.874 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.3 mtp85 -59.9 -33.02 71.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 74.53 110.876 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 29.3 mmt -91.91 -23.61 19.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 64.33 110.844 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.7 tp -51.79 -74.95 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.234 -0.439 . . . . 64.24 110.844 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -68.06 110.37 3.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 73.54 110.894 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -72.23 138.0 47.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 75.34 110.942 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.78 -49.86 13.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 74.13 111.129 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 tp -68.61 138.03 54.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 63.24 110.868 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.2 tptt -91.58 -29.05 17.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 73.23 110.851 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -66.24 120.13 12.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.249 -0.432 . . . . 71.44 110.923 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -87.72 119.7 28.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 72.24 110.921 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -106.36 126.65 52.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 63.15 110.864 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt 53.67 36.94 24.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 65.34 110.914 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.38 138.31 31.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 60.14 111.096 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 73.22 110.911 -179.901 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.547 -0.221 . . . . 61.44 112.547 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 5.2 m -54.34 -35.25 62.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.919 0.39 . . . . 61.23 110.905 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -57.55 -32.42 67.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 72.14 110.902 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 ttm -63.29 132.8 52.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 71.52 110.813 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.5 t -130.85 140.05 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 53.31 111.107 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -76.85 158.06 31.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 63.11 110.858 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 32.3 mtt -125.64 162.93 23.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 75.11 110.848 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -61.5 -24.46 66.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 65.31 110.795 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.509 ' HA ' HD23 ' A' ' 17' ' ' LEU . 3.3 ptm -76.79 -170.85 1.72 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 53.23 110.842 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -132.42 178.44 6.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 65.33 110.935 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -146.2 147.18 31.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.314 -0.403 . . . . 75.12 110.934 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.581 ' N ' HG22 ' A' ' 28' ' ' THR . 48.5 t -72.25 116.29 47.54 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.581 0.705 . . . . 70.32 110.896 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.582 ' HD3' HG22 ' A' ' 29' ' ' VAL . 53.6 Cg_endo -69.75 -6.68 19.17 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.707 2.272 . . . . 71.13 112.361 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -94.43 -44.26 7.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 75.15 110.845 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.3 m -108.29 -56.41 2.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.918 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.57 20.8 3.13 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.685 -0.769 . . . . 73.21 112.436 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.45 HD12 ' N ' ' A' ' 15' ' ' TYR . 9.0 tp -85.14 132.75 34.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.87 0.366 . . . . 74.04 110.916 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.45 ' N ' HD12 ' A' ' 14' ' ' LEU . 26.7 m-85 -85.86 144.06 27.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 44.23 110.967 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.4 t -175.16 179.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.32 111.115 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 6' ' ' MET . 1.8 mt -130.18 5.01 4.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 61.14 110.941 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.4 mtpt -80.62 -1.19 41.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 54.53 110.932 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.435 ' O ' HD13 ' A' ' 20' ' ' ILE . 9.6 mt-10 63.79 9.96 4.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 75.04 110.89 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.675 HD13 ' HA ' ' A' ' 27' ' ' LYS . 29.2 mm -144.58 144.25 22.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 64.33 111.112 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.9 t -88.29 111.48 43.62 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.599 0.714 . . . . 73.11 110.863 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -6.35 18.36 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 63.53 112.386 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.62 -62.46 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 63.23 110.889 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.3 p -98.07 -36.17 10.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 63.52 110.903 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.4 29.2 5.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 71.22 112.536 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -111.39 138.64 47.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.378 . . . . 75.11 110.913 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.675 ' HA ' HD13 ' A' ' 20' ' ' ILE . 19.1 mtmt -49.83 143.53 7.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 65.45 110.914 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.581 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.0 OUTLIER -94.53 156.97 16.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 61.01 111.111 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.582 HG22 ' HD3' ' A' ' 10' ' ' PRO . 10.3 m -131.8 147.35 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 74.34 111.133 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.436 ' N ' HD12 ' A' ' 30' ' ' ILE . 2.1 mp -64.82 113.33 10.51 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.714 0.769 . . . . 75.34 111.153 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 116.31 4.49 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.68 2.254 . . . . 74.41 112.348 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -97.03 158.83 32.71 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.623 0.725 . . . . 72.14 110.826 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 166.01 29.06 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.666 2.244 . . . . 64.22 112.362 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 -170.97 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.721 2.281 . . . . 71.14 112.387 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -163.29 151.28 13.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 74.11 110.868 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -80.61 101.89 9.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 71.22 110.864 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 m -85.84 -26.18 25.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 65.11 110.814 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 tp -69.87 -24.24 63.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 72.33 110.905 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -94.93 -35.13 12.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 71.3 110.922 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.12 115.66 15.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 64.21 110.863 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -68.24 -48.39 65.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 75.34 110.844 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 7.2 m0 -96.15 20.15 10.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 71.42 110.944 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.34 -29.34 68.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.779 -0.724 . . . . 64.12 112.429 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -84.64 -27.06 27.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.733 0.302 . . . . 75.33 110.905 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -69.7 -31.38 69.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.271 -0.422 . . . . 62.21 110.884 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.5 tpt85 -60.58 -35.95 77.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 74.22 110.855 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -30.32 71.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 71.43 110.908 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.1 tpt -82.56 -33.33 28.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 54.41 110.932 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.526 ' O ' HD23 ' A' ' 49' ' ' LEU . 1.8 tt -59.99 -28.98 68.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 73.03 110.965 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -91.99 177.93 6.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 54.33 110.885 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -120.75 149.09 43.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 72.43 110.907 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.69 -24.15 66.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 52.15 111.086 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.88 132.8 53.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 74.51 110.983 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -74.03 123.0 23.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 74.43 110.925 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -136.23 158.26 44.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 74.23 110.808 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.82 115.71 1.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 64.14 110.885 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -126.22 152.73 45.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 62.24 110.898 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -79.76 104.53 10.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 61.33 110.957 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -92.18 146.79 23.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 75.13 111.159 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 72.2 110.898 -179.91 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.477 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.808 0.337 . . . . 73.21 110.908 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -135.76 145.89 47.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 70.05 110.895 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.565 ' N ' HG22 ' A' ' 28' ' ' THR . 46.2 t -72.38 117.64 60.6 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.57 0.7 . . . . 62.05 110.878 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.617 ' HD3' HG22 ' A' ' 29' ' ' VAL . 53.7 Cg_endo -69.83 -5.44 16.25 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.679 2.253 . . . . 75.01 112.321 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.49 -43.83 7.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 41.45 110.89 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.7 m -109.24 -56.8 2.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 65.13 110.9 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.07 25.06 2.34 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 60.5 112.503 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 15' ' ' TYR . 8.8 tp -91.24 133.86 35.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.763 0.316 . . . . 71.35 110.922 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.466 ' N ' HD12 ' A' ' 14' ' ' LEU . 49.7 m-85 -87.47 146.7 25.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 65.34 110.901 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.402 HG22 HG21 ' A' ' 28' ' ' THR . 10.2 t -175.6 166.8 3.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 72.04 111.137 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 mt -116.23 14.41 15.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 75.33 110.919 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -92.65 -0.34 57.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 74.31 110.91 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.434 ' O ' HD13 ' A' ' 20' ' ' ILE . 3.1 mt-10 62.53 11.04 4.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 75.11 110.928 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.64 HD13 ' HA ' ' A' ' 27' ' ' LYS . 28.8 mm -144.01 145.42 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 72.41 111.134 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.1 t -90.1 111.06 44.65 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.611 0.72 . . . . 63.2 110.918 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -6.81 19.5 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.676 2.251 . . . . 64.04 112.345 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.01 -60.23 2.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 75.33 110.877 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.2 p -102.67 -36.12 8.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 71.33 110.888 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.02 27.83 4.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 61.21 112.473 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -109.28 138.03 46.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.901 0.381 . . . . 63.3 110.865 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.64 ' HA ' HD13 ' A' ' 20' ' ' ILE . 10.8 mtmm -50.88 143.39 10.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 74.32 110.905 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.565 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.0 OUTLIER -92.18 150.68 20.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 73.22 111.132 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.617 HG22 ' HD3' ' A' ' 10' ' ' PRO . 12.4 m -129.17 156.89 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 61.45 111.157 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.477 HD13 ' HB3' ' A' ' 7' ' ' LYS . 37.8 mm -63.4 113.22 8.91 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.654 0.74 . . . . 74.32 111.116 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.69 2.26 . . . . 73.04 112.377 179.879 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 12.7 m95 . . . . . 0 C--O 1.23 0.03 0 CA-C-O 120.84 0.352 . . . . 73.42 110.946 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.51 -87.42 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 62.24 112.47 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -52.97 -28.86 25.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 65.15 110.949 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -53.98 -28.27 36.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 75.43 110.957 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.8 ttt-85 -52.66 -32.29 41.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 73.52 110.836 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.1 mmm-85 -61.29 -32.86 72.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 74.14 110.896 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 6.4 ttm -115.52 25.54 10.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 45.22 110.892 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.8 tt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.919 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.621 ' HB3' HD13 ' A' ' 30' ' ' ILE . 7.8 ptmt . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.819 0.342 . . . . 71.44 110.936 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -145.54 148.78 33.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 64.2 110.885 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.591 ' N ' HG22 ' A' ' 28' ' ' THR . 48.0 t -72.53 116.47 49.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.647 0.737 . . . . 64.4 110.868 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.637 ' HD3' HG22 ' A' ' 29' ' ' VAL . 54.4 Cg_endo -69.74 -6.07 17.7 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.72 2.28 . . . . 65.03 112.368 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -95.09 -45.1 7.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 74.34 110.915 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.9 m -107.4 -56.75 2.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 73.02 110.876 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.96 26.62 2.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.787 -0.72 . . . . 74.23 112.432 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 15' ' ' TYR . 8.9 tp -90.79 132.84 35.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 75.1 110.92 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.455 ' N ' HD12 ' A' ' 14' ' ' LEU . 28.9 m-85 -84.85 143.39 29.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 72.42 110.993 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.5 t -175.17 175.15 2.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 54.45 111.124 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 mt -126.54 7.67 6.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 64.33 110.965 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -83.88 -0.16 50.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 73.41 110.888 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.437 ' O ' HD13 ' A' ' 20' ' ' ILE . 5.5 mt-10 63.06 10.44 4.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 64.01 110.925 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.669 HD13 ' HA ' ' A' ' 27' ' ' LYS . 30.6 mm -144.1 144.9 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 64.5 111.143 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.5 t -89.98 111.02 44.18 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.553 0.692 . . . . 44.31 110.907 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -6.61 19.01 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.675 2.25 . . . . 72.32 112.353 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.84 -60.92 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 74.54 110.96 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.6 p -100.92 -35.87 9.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 71.52 110.933 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.44 28.49 5.13 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.76 -0.733 . . . . 63.44 112.506 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -110.49 138.01 47.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 73.32 110.903 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.669 ' HA ' HD13 ' A' ' 20' ' ' ILE . 26.4 ttpt -50.52 142.76 10.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 72.53 110.938 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.591 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.0 OUTLIER -91.91 159.46 15.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 72.33 111.136 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.637 HG22 ' HD3' ' A' ' 10' ' ' PRO . 13.4 m -136.03 154.79 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 44.11 111.191 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.621 HD13 ' HB3' ' A' ' 7' ' ' LYS . 30.5 mm -63.93 113.03 8.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.661 0.743 . . . . 64.43 111.083 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.175 0 C-N-CA 122.714 2.276 . . . . 64.23 112.286 179.879 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 32.7 m95 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.8 0.333 . . . . 71.21 110.884 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.2 -87.2 0.19 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 72.35 112.476 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -51.88 -31.75 29.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.32 . . . . 65.33 110.893 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -77.57 -33.29 54.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 60.15 110.886 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.7 tpp85 -58.9 -31.05 68.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 64.14 110.915 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -57.03 -32.98 66.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 72.34 110.87 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.7 mtm -96.7 -29.26 13.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 70.22 110.851 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 49' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 62.15 110.904 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.811 0.338 . . . . 65.41 110.938 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -134.68 147.33 50.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 62.02 110.865 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.555 ' N ' HG22 ' A' ' 28' ' ' THR . 48.7 t -71.93 117.26 56.38 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.631 0.729 . . . . 61.11 110.873 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.4 ' HD3' HG22 ' A' ' 29' ' ' VAL . 53.9 Cg_endo -69.71 -5.84 17.15 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.644 2.229 . . . . 64.01 112.329 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.43 -43.26 7.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 73.23 110.865 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.7 m -107.99 -57.18 2.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 63.33 110.885 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.02 21.51 3.14 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.68 -0.771 . . . . 62.33 112.493 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 15' ' ' TYR . 8.8 tp -87.53 133.65 33.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.764 0.316 . . . . 74.25 110.968 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.466 ' N ' HD12 ' A' ' 14' ' ' LEU . 44.7 m-85 -87.35 147.84 25.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.025 0.441 . . . . 72.34 110.919 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.7 t -175.16 175.68 2.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 63.21 111.149 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 mt -122.68 1.45 9.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 73.43 110.9 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -80.29 -1.1 39.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.904 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 63.22 10.29 4.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.412 . . . . 71.44 110.899 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.669 HD13 ' HA ' ' A' ' 27' ' ' LYS . 26.5 mm -143.06 145.73 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 74.53 111.072 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.8 t -88.71 111.34 43.6 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.609 0.719 . . . . 43.51 110.887 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -7.56 21.39 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 73.25 112.368 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.75 -60.54 2.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 72.44 110.855 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.1 p -103.08 -36.75 8.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.274 -0.421 . . . . 75.53 110.899 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.04 28.33 4.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.741 . . . . 73.21 112.501 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -107.87 136.52 47.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.96 0.409 . . . . 74.01 110.89 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.669 ' HA ' HD13 ' A' ' 20' ' ' ILE . 20.5 mttp -51.4 139.59 19.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.496 . . . . 73.11 110.867 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.555 HG22 ' N ' ' A' ' 9' ' ' CYS . 4.6 p -91.24 156.76 17.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 42.5 111.197 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.4 HG22 ' HD3' ' A' ' 10' ' ' PRO . 15.1 m -130.8 153.24 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 61.01 111.177 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.8 mm -60.99 112.25 5.45 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.636 0.731 . . . . 73.13 111.13 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.735 2.29 . . . . 72.22 112.306 179.89 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 14.7 m95 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.854 0.359 . . . . 75.13 110.931 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.11 -29.13 27.86 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 43.53 112.445 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -88.45 -25.67 22.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.728 0.299 . . . . 65.33 110.859 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -52.99 -28.83 25.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 52.3 110.94 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -52.4 -33.24 42.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 73.44 110.869 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -58.53 -31.78 68.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.275 -0.42 . . . . 73.33 110.885 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.2 tpt -97.71 -26.24 14.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 72.13 110.884 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.49 ' O ' HD23 ' A' ' 49' ' ' LEU . 2.3 tt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 65.33 110.916 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.8 0.333 . . . . 71.33 110.897 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -144.07 148.93 35.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 74.02 110.942 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.674 ' N ' HG22 ' A' ' 28' ' ' THR . 48.2 t -72.76 116.55 51.14 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.619 0.724 . . . . 71.13 110.903 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.542 ' HD3' HG22 ' A' ' 29' ' ' VAL . 54.0 Cg_endo -69.67 -6.08 17.7 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.714 2.276 . . . . 74.23 112.304 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -94.82 -46.0 7.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 62.34 110.913 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.4 m -106.52 -56.51 2.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 74.24 110.839 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.17 29.09 1.7 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 72.34 112.476 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.483 HD12 ' N ' ' A' ' 15' ' ' TYR . 8.0 tp -94.17 133.21 37.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 55.1 110.909 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.483 ' N ' HD12 ' A' ' 14' ' ' LEU . 27.5 m-85 -84.48 144.42 28.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 71.11 110.924 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.9 t -174.71 175.04 2.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 71.14 111.145 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 mt -125.32 2.86 7.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 73.22 110.883 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -79.07 -1.44 35.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 54.41 110.881 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 65.31 7.99 4.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 74.05 110.861 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.711 HD13 ' HA ' ' A' ' 27' ' ' LYS . 27.3 mm -143.56 145.66 22.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 53.21 111.162 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.3 t -86.7 111.73 41.91 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.564 0.697 . . . . 74.32 110.921 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -6.1 17.79 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.653 2.236 . . . . 62.04 112.405 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.32 -61.63 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 74.24 110.929 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.5 p -99.95 -36.14 9.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 64.22 110.87 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.3 29.48 5.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 73.51 112.438 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -109.8 139.13 45.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.913 0.387 . . . . 74.31 110.85 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.711 ' HA ' HD13 ' A' ' 20' ' ' ILE . 0.7 OUTLIER -50.79 140.52 14.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 74.34 110.897 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.674 HG22 ' N ' ' A' ' 9' ' ' CYS . 0.9 OUTLIER -92.37 158.63 15.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 55.13 111.172 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.542 HG22 ' HD3' ' A' ' 10' ' ' PRO . 14.8 m -135.93 160.25 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 71.03 111.164 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.9 mm -64.88 113.38 10.77 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.656 0.741 . . . . 75.35 111.072 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.166 0 C-N-CA 122.719 2.279 . . . . 73.51 112.322 179.855 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 25.0 m0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.748 0.309 . . . . 72.25 110.887 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.7 -89.19 0.15 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 50.03 112.533 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -51.8 -32.38 31.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.795 0.331 . . . . 74.23 110.896 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -84.39 -32.31 24.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 73.31 110.945 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -60.32 -26.53 66.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 75.5 110.873 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.7 tpt85 -52.04 -39.05 58.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 65.44 110.906 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.5 mmt -101.59 -32.02 10.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 72.11 110.886 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.448 ' O ' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 73.02 110.899 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.59 ' HB3' HD13 ' A' ' 30' ' ' ILE . 8.8 ptmt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.844 0.354 . . . . 74.14 110.88 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -144.47 149.2 35.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 73.02 110.88 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.574 ' N ' HG22 ' A' ' 28' ' ' THR . 48.5 t -72.15 116.73 51.79 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.619 0.723 . . . . 63.33 110.941 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.642 ' HD3' HG22 ' A' ' 29' ' ' VAL . 52.7 Cg_endo -69.83 -5.71 16.91 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.628 2.219 . . . . 64.34 112.313 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -95.54 -44.74 7.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.843 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.2 m -107.89 -56.65 2.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 75.25 110.926 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.39 30.94 1.33 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.689 -0.767 . . . . 73.12 112.481 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.438 HD12 ' N ' ' A' ' 15' ' ' TYR . 7.3 tp -96.98 129.31 44.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.773 0.32 . . . . 51.51 110.905 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.438 ' N ' HD12 ' A' ' 14' ' ' LEU . 49.7 m-85 -81.16 146.51 30.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 64.04 110.945 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.464 HG22 HG21 ' A' ' 28' ' ' THR . 15.2 t -175.24 179.94 1.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 51.31 111.148 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mt -130.09 2.76 4.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 71.42 110.917 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.96 -0.62 40.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 62.33 110.912 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.44 ' O ' HD13 ' A' ' 20' ' ' ILE . 7.4 mt-10 63.34 10.6 4.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 71.14 110.882 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.663 HD13 ' HA ' ' A' ' 27' ' ' LYS . 29.3 mm -143.94 144.61 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 72.52 111.136 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.6 t -88.5 111.6 44.81 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.573 0.701 . . . . 72.43 110.913 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -6.54 18.83 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.706 2.27 . . . . 60.32 112.338 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.69 -61.84 1.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 74.43 110.86 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.0 p -99.74 -36.45 9.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 61.43 110.824 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.99 28.03 5.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.786 -0.721 . . . . 71.24 112.452 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -109.59 137.7 47.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.905 0.383 . . . . 62.41 110.947 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.663 ' HA ' HD13 ' A' ' 20' ' ' ILE . 24.2 ttpt -50.5 142.48 10.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 64.42 110.868 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.574 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.1 p -91.4 158.78 16.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 74.33 111.167 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.642 HG22 ' HD3' ' A' ' 10' ' ' PRO . 15.1 m -135.8 154.34 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 70.1 111.172 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.59 HD13 ' HB3' ' A' ' 7' ' ' LYS . 30.5 mm -63.56 112.9 8.09 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.595 0.712 . . . . 62.33 111.165 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.221 0 C-N-CA 122.724 2.283 . . . . 52.24 112.312 179.899 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.6 m95 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.837 0.351 . . . . 75.15 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.94 -84.45 0.3 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.795 -0.717 . . . . 21.13 112.43 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -31.37 47.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.808 0.337 . . . . 74.54 110.874 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -60.45 -27.07 67.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 54.41 110.825 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 -52.25 -32.86 38.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 73.51 110.893 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.0 mtt-85 -59.47 -34.04 72.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 74.55 110.905 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.4 mtm -103.95 25.83 9.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 63.35 110.842 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.3 tt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 75.43 110.956 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.611 ' HB3' HD13 ' A' ' 30' ' ' ILE . 9.0 ptmt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.856 0.36 . . . . 62.2 110.932 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -145.81 149.24 33.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 71.12 110.931 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.552 ' N ' HG22 ' A' ' 28' ' ' THR . 48.9 t -72.36 116.71 52.01 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.613 0.72 . . . . 63.15 110.857 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.656 ' HD3' HG22 ' A' ' 29' ' ' VAL . 54.1 Cg_endo -69.72 -6.25 18.13 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.705 2.27 . . . . 42.41 112.366 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.45 -43.93 7.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 61.44 110.879 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.9 m -108.36 -57.0 2.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 73.43 110.967 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.5 30.66 1.37 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 54.33 112.531 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.441 HD12 ' N ' ' A' ' 15' ' ' TYR . 7.6 tp -96.47 129.74 43.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 71.34 110.892 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.441 ' N ' HD12 ' A' ' 14' ' ' LEU . 50.1 m-85 -81.51 146.21 30.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 72.31 110.877 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.444 HG22 HG21 ' A' ' 28' ' ' THR . 15.2 t -175.37 -179.96 1.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 72.14 111.15 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mt -130.45 3.26 4.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 54.54 110.929 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -0.05 39.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 61.22 110.869 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.446 ' O ' HD13 ' A' ' 20' ' ' ILE . 6.7 mt-10 63.05 10.7 4.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 63.42 110.863 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.654 HD13 ' HA ' ' A' ' 27' ' ' LYS . 29.1 mm -143.96 144.99 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 74.02 111.143 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.2 t -89.44 111.3 44.79 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.645 0.735 . . . . 74.25 110.854 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 -6.91 19.67 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.756 2.304 . . . . 74.4 112.377 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.78 -61.39 1.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 55.32 110.883 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.7 p -100.37 -35.97 9.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 63.14 110.906 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.58 28.57 5.06 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.808 -0.711 . . . . 65.24 112.543 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -110.79 138.01 47.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.959 0.409 . . . . 74.05 110.889 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.654 ' HA ' HD13 ' A' ' 20' ' ' ILE . 22.3 ttpp -49.95 144.41 6.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 64.14 110.907 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.552 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.1 p -93.42 159.82 15.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 62.14 111.176 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.656 HG22 ' HD3' ' A' ' 10' ' ' PRO . 16.1 m -136.69 154.28 31.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 65.54 111.151 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.611 HD13 ' HB3' ' A' ' 7' ' ' LYS . 30.2 mm -64.19 112.86 8.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.636 0.731 . . . . 51.31 111.112 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo . . . . . 0 C--N 1.342 0.186 0 C-N-CA 122.639 2.226 . . . . 74.44 112.338 179.89 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.866 0.365 . . . . 70.32 110.989 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.23 -85.35 0.24 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.792 -0.718 . . . . 63.2 112.504 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.2 ptmm? -51.69 -30.18 21.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.792 0.33 . . . . 73.41 110.873 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -54.61 -27.13 37.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.424 . . . . 72.24 110.856 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.3 ppt_? -52.03 -32.92 36.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 63.32 110.816 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -57.18 -33.94 67.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 75.2 110.822 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -100.6 24.42 9.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 73.24 110.902 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.46 ' O ' HD23 ' A' ' 49' ' ' LEU . 2.9 tt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 72.43 110.935 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.96 0.41 . . . . 71.31 110.851 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -134.44 148.46 50.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 74.42 110.915 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.493 ' N ' HG22 ' A' ' 28' ' ' THR . 49.1 t -72.28 116.95 54.26 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.687 0.756 . . . . 74.01 110.861 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.82 -5.73 16.94 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.729 2.286 . . . . 64.31 112.267 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -96.69 -43.02 7.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 63.44 111.008 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.0 m -108.18 -57.24 2.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 64.15 110.813 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.44 26.22 2.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 43.24 112.467 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.471 HD12 ' N ' ' A' ' 15' ' ' TYR . 8.1 tp -92.88 132.41 37.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.799 0.333 . . . . 75.41 110.983 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.471 ' N ' HD12 ' A' ' 14' ' ' LEU . 54.0 m-85 -84.86 147.66 26.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 73.31 110.914 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.2 t -175.19 174.63 2.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 74.12 111.135 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mt -121.53 1.09 10.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 65.24 110.944 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -79.83 -1.82 40.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 63.23 110.881 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 63.56 9.98 4.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 72.23 110.898 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.719 HD13 ' HA ' ' A' ' 27' ' ' LYS . 27.4 mm -144.02 143.55 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 62.42 111.202 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.5 t -84.17 112.38 40.73 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.568 0.699 . . . . 73.33 110.884 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.86 -6.51 18.81 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.623 2.216 . . . . 55.2 112.333 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.56 -60.18 2.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 61.11 110.869 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.0 p -103.12 -37.71 7.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 75.32 110.914 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.19 29.18 4.64 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.783 -0.722 . . . . 30.23 112.456 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -105.27 137.4 43.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 74.12 110.885 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.719 ' HA ' HD13 ' A' ' 20' ' ' ILE . 0.1 OUTLIER -51.79 134.35 30.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.46 . . . . 74.22 110.915 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.493 HG22 ' N ' ' A' ' 9' ' ' CYS . 5.7 p -87.77 159.12 18.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 63.25 111.118 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.4 m -134.6 153.26 34.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 64.31 111.097 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.1 mm -61.68 112.46 6.14 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.628 0.728 . . . . 64.34 111.134 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.633 2.222 . . . . 51.42 112.304 179.931 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 10.2 m-90 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.754 0.311 . . . . 75.43 110.879 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.57 -84.88 0.27 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.68 -0.771 . . . . 34.11 112.521 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.3 ptmm? -51.71 -32.34 29.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 71.3 110.847 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -73.96 -36.49 64.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 71.42 110.925 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -63.32 -32.24 73.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 64.13 110.841 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -60.42 -30.76 69.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 64.33 110.852 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 29.7 mmt -98.43 -29.6 13.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 72.24 110.818 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.49 ' O ' HD13 ' A' ' 49' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 54.34 110.858 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.667 ' HB3' HD13 ' A' ' 30' ' ' ILE . 8.2 ptmt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.919 0.39 . . . . 73.25 110.859 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -143.7 148.58 35.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 63.33 110.854 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.615 ' N ' HG22 ' A' ' 28' ' ' THR . 44.6 t -72.28 117.12 55.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.566 0.698 . . . . 71.13 110.882 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.546 ' HD3' HG22 ' A' ' 29' ' ' VAL . 53.9 Cg_endo -69.72 -5.89 17.26 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.676 2.251 . . . . 61.24 112.311 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.88 -41.94 8.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 74.51 110.932 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.3 m -111.4 -56.96 2.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 73.34 110.889 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.95 28.78 1.63 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.791 -0.719 . . . . 71.12 112.522 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.471 HD12 ' N ' ' A' ' 15' ' ' TYR . 7.0 tp -94.06 131.27 39.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 53.42 110.897 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.471 ' N ' HD12 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -81.52 146.17 30.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 74.34 110.931 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.477 HG22 HG21 ' A' ' 28' ' ' THR . 15.3 t -175.37 176.28 2.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 75.34 111.167 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 mt -127.09 3.5 6.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 54.13 110.891 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.8 mtmt -82.5 0.54 42.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 75.41 110.867 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.404 ' O ' HD13 ' A' ' 20' ' ' ILE . 6.0 mt-10 62.07 11.71 4.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 73.31 110.975 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.702 HD13 ' HA ' ' A' ' 27' ' ' LYS . 30.3 mm -144.43 144.18 22.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.091 -0.504 . . . . 72.44 111.132 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.6 t -88.72 111.41 44.09 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.659 0.743 . . . . 72.32 110.86 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -6.67 19.19 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.664 2.243 . . . . 74.4 112.278 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 -60.9 2.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 71.51 110.89 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.9 p -101.83 -36.21 8.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 62.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.58 27.57 5.17 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.781 -0.723 . . . . 73.31 112.514 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -108.03 135.7 48.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.917 0.389 . . . . 73.12 110.882 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.702 ' HA ' HD13 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -50.52 140.09 14.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 64.41 110.95 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.615 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.2 p -89.48 158.35 17.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 54.1 111.132 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.546 HG22 ' HD3' ' A' ' 10' ' ' PRO . 15.1 m -135.75 153.63 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 65.1 111.154 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.667 HD13 ' HB3' ' A' ' 7' ' ' LYS . 29.0 mm -62.96 112.54 6.96 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.588 0.709 . . . . 61.03 111.115 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.165 0 C-N-CA 122.708 2.272 . . . . 65.23 112.343 179.877 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.1 m0 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.79 0.329 . . . . 75.54 110.857 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.81 -31.8 79.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.781 -0.724 . . . . 41.1 112.502 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -87.75 -30.37 20.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.784 0.326 . . . . 61.14 110.87 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -52.85 -29.16 26.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 71.31 110.918 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.1 ttp85 -52.5 -34.42 49.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 53.32 110.876 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -62.22 -34.22 76.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 63.34 110.917 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.9 mmt -101.8 25.43 8.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.856 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.1 tp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 73.52 110.908 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.651 ' HB3' HD13 ' A' ' 30' ' ' ILE . 7.1 ptmt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.828 0.347 . . . . 73.52 110.874 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -144.26 148.34 34.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 72.45 110.94 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.613 ' N ' HG22 ' A' ' 28' ' ' THR . 48.6 t -72.53 116.75 52.75 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.657 0.741 . . . . 72.31 110.855 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.641 ' HD3' HG22 ' A' ' 29' ' ' VAL . 53.4 Cg_endo -69.79 -5.77 17.03 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.71 2.273 . . . . 74.05 112.341 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -95.96 -43.74 7.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 75.41 110.852 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.7 m -108.62 -57.18 2.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.901 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.61 24.91 2.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.821 -0.704 . . . . 43.11 112.474 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 15' ' ' TYR . 8.7 tp -89.88 132.48 35.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 44.54 110.875 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.455 ' N ' HD12 ' A' ' 14' ' ' LEU . 33.1 m-85 -85.02 144.54 28.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 75.1 110.897 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.4 t -175.36 173.32 2.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 72.34 111.111 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 mt -124.16 9.7 8.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 75.45 110.868 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -86.73 -0.23 55.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 71.44 110.923 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.432 ' O ' HD13 ' A' ' 20' ' ' ILE . 6.2 mt-10 62.75 11.05 4.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 63.24 110.834 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.665 HD13 ' HA ' ' A' ' 27' ' ' LYS . 29.9 mm -144.28 144.3 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 54.03 111.092 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.5 t -89.72 111.05 43.83 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.594 0.711 . . . . 73.52 110.918 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.69 -7.03 20.0 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.727 2.285 . . . . 71.13 112.386 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.28 -61.43 1.9 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 73.1 110.851 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.1 p -100.38 -35.85 9.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 51.34 110.906 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.37 29.12 4.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 53.34 112.496 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -111.21 138.29 47.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.914 0.388 . . . . 74.4 110.936 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.665 ' HA ' HD13 ' A' ' 20' ' ' ILE . 27.5 mttt -50.92 142.34 11.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 72.23 110.956 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.613 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.0 OUTLIER -91.89 158.72 16.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 75.33 111.096 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.641 HG22 ' HD3' ' A' ' 10' ' ' PRO . 16.5 m -134.64 154.91 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 74.55 111.136 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.651 HD13 ' HB3' ' A' ' 7' ' ' LYS . 29.6 mm -64.31 113.03 8.99 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.635 0.731 . . . . 63.13 111.097 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.464 -0.213 0 C-N-CA 122.654 2.236 . . . . 74.41 112.357 179.879 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.7 m0 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.796 0.332 . . . . 70.14 110.928 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.07 -30.86 74.72 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.737 -0.744 . . . . 55.43 112.552 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -83.94 -28.9 27.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.761 0.315 . . . . 74.11 110.867 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -60.01 -24.92 64.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 65.42 110.965 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.36 -67.78 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 73.14 110.837 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.84 -22.95 59.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 74.14 110.878 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.1 mmt -95.81 25.39 4.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 72.35 110.941 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 tt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 75.32 110.968 -179.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.641 ' HB3' HD13 ' A' ' 30' ' ' ILE . 9.8 ptmt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.817 0.341 . . . . 73.35 110.911 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -143.79 149.3 36.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 75.11 110.912 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.541 ' N ' HG22 ' A' ' 28' ' ' THR . 46.7 t -72.46 117.37 58.37 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.564 0.697 . . . . 65.43 110.927 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.631 ' HD3' HG22 ' A' ' 29' ' ' VAL . 54.4 Cg_endo -69.78 -5.42 16.18 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.633 2.222 . . . . 72.53 112.372 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -96.71 -42.8 7.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 73.44 110.89 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.5 m -110.08 -56.74 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 74.42 110.916 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.72 31.51 1.33 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.707 -0.758 . . . . 65.33 112.423 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.458 HD12 ' N ' ' A' ' 15' ' ' TYR . 7.4 tp -96.42 130.39 43.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.873 0.368 . . . . 64.32 110.954 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.458 ' N ' HD12 ' A' ' 14' ' ' LEU . 2.5 m-85 -81.21 145.99 30.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 70.11 110.897 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.444 HG22 HG21 ' A' ' 28' ' ' THR . 15.2 t -176.05 -178.93 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.059 -0.518 . . . . 72.15 111.138 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.7 mt -132.01 3.53 4.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 73.22 110.914 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -80.94 -0.45 39.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 75.22 110.915 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.438 ' O ' HD13 ' A' ' 20' ' ' ILE . 7.0 mt-10 63.17 10.5 4.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 74.52 110.891 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.637 HD13 ' HA ' ' A' ' 27' ' ' LYS . 28.2 mm -143.91 144.02 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 53.15 111.122 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.9 t -88.33 111.79 45.67 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.595 0.712 . . . . 55.25 110.883 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -7.04 20.01 Favored 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.702 2.268 . . . . 71.43 112.399 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -82.58 -61.71 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 74.12 110.879 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.5 p -100.56 -36.56 9.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.26 -0.427 . . . . 43.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.85 27.68 5.06 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.741 -0.742 . . . . 71.11 112.503 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -108.79 138.37 45.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.89 0.376 . . . . 75.51 110.899 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.637 ' HA ' HD13 ' A' ' 20' ' ' ILE . 10.5 mtmt -51.5 141.7 15.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 64.41 110.913 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.541 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.2 p -90.29 159.92 16.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 64.14 111.167 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.631 HG22 ' HD3' ' A' ' 10' ' ' PRO . 16.3 m -137.02 153.59 29.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 72.34 111.145 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.641 HD13 ' HB3' ' A' ' 7' ' ' LYS . 30.0 mm -64.1 113.01 8.75 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.567 0.698 . . . . 72.13 111.181 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.153 0 C-N-CA 122.652 2.234 . . . . 74.55 112.338 179.911 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 15.9 m95 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.728 0.299 . . . . 75.51 110.851 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.41 -28.81 29.25 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.679 -0.772 . . . . 43.05 112.464 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -85.17 -27.8 25.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.341 . . . . 73.54 110.922 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -53.59 -28.4 31.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 72.41 110.927 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -52.28 -32.81 39.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 73.34 110.822 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 43.5 mtm-85 -55.15 -33.54 63.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 75.45 110.909 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -76.43 -31.58 57.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 52.41 110.87 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.421 . . . . 73.23 110.928 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.451 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.859 0.362 . . . . 64.21 110.93 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -139.61 147.73 41.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 73.33 110.875 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.711 ' N ' HG22 ' A' ' 28' ' ' THR . 49.0 t -71.76 117.2 55.56 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.59 0.71 . . . . 43.14 110.884 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -5.38 16.08 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.681 2.254 . . . . 73.43 112.366 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -97.23 -43.15 7.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 63.41 110.912 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.2 m -108.26 -57.22 2.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 60.45 110.918 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.98 24.79 2.42 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 33.31 112.489 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 15' ' ' TYR . 7.7 tp -91.76 132.29 36.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 73.24 110.979 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.476 ' N ' HD12 ' A' ' 14' ' ' LEU . 57.4 m-85 -84.35 147.85 26.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 72.5 110.886 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.525 HG22 HG21 ' A' ' 28' ' ' THR . 14.3 t -175.13 175.4 2.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.039 -0.528 . . . . 72.42 111.13 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 mt -123.8 3.64 8.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 75.1 110.893 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -82.67 -2.31 53.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 54.12 110.904 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 62.3 11.38 4.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 74.42 110.83 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.615 HD13 ' HA ' ' A' ' 27' ' ' LYS . 32.6 mm -145.07 133.64 17.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 64.14 111.118 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.9 t -74.34 114.56 34.74 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.583 0.706 . . . . 61.4 110.881 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 -7.08 20.15 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.637 2.225 . . . . 75.03 112.356 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -85.27 -60.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 75.13 110.861 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.8 p -104.16 -39.94 6.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 71.51 110.833 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.571 ' O ' HG23 ' A' ' 20' ' ' ILE . . . 124.57 -26.05 5.8 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.777 -0.725 . . . . 25.02 112.472 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -49.95 137.5 16.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.876 0.37 . . . . 75.11 110.894 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.615 ' HA ' HD13 ' A' ' 20' ' ' ILE . 12.8 mtmm -60.26 145.12 48.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 61.45 110.866 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.711 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.0 OUTLIER -91.31 147.7 22.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 74.23 111.147 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.7 m -126.65 147.76 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 73.43 111.087 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.451 HD13 ' HB3' ' A' ' 7' ' ' LYS . 44.4 mm -60.92 112.19 5.32 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 64.24 111.136 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.169 0 C-N-CA 122.721 2.281 . . . . 73.11 112.319 179.915 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.7 m0 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.747 0.308 . . . . 71.32 110.916 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.37 -30.85 49.97 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.688 -0.767 . . . . 64.33 112.572 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -80.42 -28.56 37.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.744 0.307 . . . . 72.34 110.871 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -57.22 -24.25 53.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.268 -0.424 . . . . 63.12 110.874 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -52.02 -68.73 0.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 72.2 110.8 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.6 ptp85 -53.49 -41.62 66.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 74.2 110.908 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.4 mmt -57.4 -23.8 51.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 64.54 110.861 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.629 ' O ' HD23 ' A' ' 49' ' ' LEU . 3.4 tt . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.956 0.408 . . . . 72.21 110.935 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.401 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.839 0.352 . . . . 60.42 110.866 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -138.23 148.86 45.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 72.32 110.906 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.736 ' N ' HG22 ' A' ' 28' ' ' THR . 48.8 t -72.1 116.58 50.11 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.608 0.718 . . . . 73.41 110.865 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -5.24 15.72 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.681 2.254 . . . . 74.25 112.328 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -96.59 -44.67 7.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 64.23 110.883 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.3 m -107.29 -56.74 2.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.252 -0.431 . . . . 64.43 110.904 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.36 27.13 2.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.699 -0.762 . . . . 65.31 112.508 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 15' ' ' TYR . 7.8 tp -92.33 132.77 36.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.836 0.35 . . . . 72.4 110.919 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.481 ' N ' HD12 ' A' ' 14' ' ' LEU . 34.4 m-85 -83.87 145.65 28.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 74.43 110.938 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.478 HG22 HG21 ' A' ' 28' ' ' THR . 15.1 t -175.23 176.52 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.5 . . . . 61.22 111.176 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 mt -126.33 3.42 7.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 61.42 110.898 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -81.13 -2.12 47.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 71.23 110.876 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 62.42 11.11 4.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 62.31 110.892 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.614 HD13 ' HA ' ' A' ' 27' ' ' LYS . 32.6 mm -145.15 133.47 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 73.14 111.184 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.7 t -74.52 114.84 37.85 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.643 0.735 . . . . 73.33 110.83 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.45 ' HD2' HD23 ' A' ' 14' ' ' LEU . 54.4 Cg_endo -69.72 -6.96 19.82 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.649 2.233 . . . . 73.32 112.364 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.03 -60.32 2.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 74.41 110.905 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.2 p -104.82 -39.93 6.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 63.21 110.911 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.564 ' O ' HG23 ' A' ' 20' ' ' ILE . . . 124.08 -26.76 5.78 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.794 -0.717 . . . . 74.12 112.469 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -49.14 133.65 18.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.943 0.401 . . . . 75.53 110.916 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.614 ' HA ' HD13 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -57.12 145.37 31.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 71.34 110.874 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.736 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.0 OUTLIER -91.75 150.2 21.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 43.13 111.05 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.9 m -129.16 149.72 33.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 64.12 111.081 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.401 HD13 ' HB3' ' A' ' 7' ' ' LYS . 45.4 mm -61.25 112.17 5.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.594 0.712 . . . . 64.14 111.066 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.17 0 C-N-CA 122.657 2.238 . . . . 71.45 112.377 179.852 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 7.6 m95 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.794 0.331 . . . . 75.52 110.839 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.52 -84.79 0.26 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.786 -0.721 . . . . 62.44 112.488 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.8 pttt -52.34 -29.82 25.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.351 . . . . 74.3 110.904 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -57.34 -28.22 62.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 70.41 110.922 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -52.03 -42.81 63.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 73.53 110.871 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -67.11 -42.59 84.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 74.22 110.874 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -23.3 67.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 72.54 110.861 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.521 ' O ' HD23 ' A' ' 49' ' ' LEU . 4.8 tt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.929 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.847 0.356 . . . . 62.32 110.872 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -136.88 145.59 44.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 63.43 110.912 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.666 ' N ' HG22 ' A' ' 28' ' ' THR . 45.8 t -72.12 116.7 51.34 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-O 121.618 0.723 . . . . 44.32 110.875 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.478 ' HD3' HG22 ' A' ' 29' ' ' VAL . 53.5 Cg_endo -69.72 -5.41 16.13 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.765 2.31 . . . . 73.45 112.284 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -96.58 -41.93 8.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 71.32 110.92 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.2 m -111.61 -57.07 2.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 74.52 110.869 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.93 26.86 2.0 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 52.23 112.41 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.484 HD12 ' N ' ' A' ' 15' ' ' TYR . 8.3 tp -91.58 134.97 34.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 73.31 110.901 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.484 ' N ' HD12 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -85.27 144.14 28.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 71.13 110.973 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.494 HG22 HG21 ' A' ' 28' ' ' THR . 13.2 t -175.25 170.4 3.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 64.54 111.16 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mt -120.04 2.18 10.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 72.4 110.92 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -78.86 -3.17 43.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.93 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 63.9 9.64 4.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 63.13 110.808 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.599 HD13 ' HA ' ' A' ' 27' ' ' LYS . 26.9 mm -144.1 137.07 23.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 73.24 111.136 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.2 t -78.29 114.02 39.01 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.662 0.744 . . . . 72.04 110.879 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.439 ' HD2' HD23 ' A' ' 14' ' ' LEU . 53.6 Cg_endo -69.74 -6.74 19.3 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.727 2.284 . . . . 74.21 112.361 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.23 -60.31 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 75.02 110.975 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.7 p -103.37 -39.38 6.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 64.15 110.893 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.532 ' O ' HG23 ' A' ' 20' ' ' ILE . . . 123.1 -25.94 6.25 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 73.31 112.547 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -51.34 142.72 12.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.953 0.406 . . . . 74.22 110.855 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.599 ' HA ' HD13 ' A' ' 20' ' ' ILE . 12.3 mtmt -65.61 144.46 56.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 75.11 110.88 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.666 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.1 p -87.48 151.31 23.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.277 -0.42 . . . . 74.32 111.133 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.478 HG22 ' HD3' ' A' ' 10' ' ' PRO . 13.7 m -131.18 159.91 42.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 71.04 111.146 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.9 mm -62.96 113.12 8.24 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.664 0.745 . . . . 65.12 111.165 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.233 0.248 0 C-N-CA 122.631 2.22 . . . . 62.55 112.332 179.904 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 5.9 m95 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.828 0.347 . . . . 73.42 110.968 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.34 -85.28 0.25 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 71.34 112.509 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -51.87 -30.21 22.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.776 0.322 . . . . 74.35 110.867 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -52.63 -35.2 54.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 71.52 110.898 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.612 ' O ' HD23 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -59.24 -44.51 92.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 42.14 110.859 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -38.99 70.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 73.13 110.826 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.1 tpt -111.52 35.54 3.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 73.01 110.936 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 46' ' ' ARG . 1.6 pp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 43.32 110.945 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.901 0.381 . . . . 72.11 110.864 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -147.39 148.41 31.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 63.33 110.922 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.8 t -72.57 118.31 66.66 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.663 0.744 . . . . 70.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.62 ' HD3' HG22 ' A' ' 29' ' ' VAL . 53.7 Cg_endo -69.84 -5.65 16.77 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.629 2.219 . . . . 72.11 112.361 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.42 -46.9 5.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 64.3 110.842 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.2 m -102.98 -56.38 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 61.42 110.864 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 117.01 30.03 2.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 75.33 112.49 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 15' ' ' TYR . 6.0 tp -95.66 131.7 41.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.836 0.351 . . . . 71.12 110.892 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.455 ' N ' HD12 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -81.61 149.81 28.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 43.22 110.941 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -175.92 -179.3 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 62.34 111.157 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mt -131.92 3.32 4.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 53.31 111.005 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -84.51 2.37 41.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 74.33 110.846 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.454 ' O ' HD13 ' A' ' 20' ' ' ILE . 2.3 mt-10 60.67 13.36 4.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 74.23 110.842 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.749 HD13 ' HA ' ' A' ' 27' ' ' LYS . 30.0 mm -143.74 145.72 21.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 74.4 111.117 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.2 t -90.34 113.43 57.45 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 63.35 110.871 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -8.25 23.12 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.697 2.265 . . . . 71.43 112.364 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -80.84 -60.41 2.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 73.24 110.895 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.5 p -100.96 -40.89 7.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 73.53 110.938 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.43 52.12 0.78 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.67 -0.776 . . . . 74.44 112.417 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.53 151.05 52.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.903 0.382 . . . . 72.45 110.837 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.749 ' HA ' HD13 ' A' ' 20' ' ' ILE . 20.6 ttpp -60.25 122.08 13.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 73.33 110.915 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 p -73.82 164.33 26.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 74.31 111.131 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.62 HG22 ' HD3' ' A' ' 10' ' ' PRO . 14.4 m -136.08 154.95 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 71.13 111.179 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.9 mm -65.94 113.27 11.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.586 0.708 . . . . 70.52 111.131 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.18 0 C-N-CA 122.659 2.239 . . . . 72.22 112.402 179.849 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 19.7 m95 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.829 0.347 . . . . 75.25 110.94 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.98 -30.8 38.39 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.758 -0.734 . . . . 72.43 112.421 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -87.54 -25.18 23.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.791 0.329 . . . . 72.02 110.893 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -53.87 -27.93 33.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 65.05 110.953 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 60.4 ttt-85 -58.67 -36.29 73.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 61.32 110.921 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -62.7 -33.05 74.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 72.4 110.872 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.7 mmt -84.35 -24.53 29.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 62.1 110.92 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.4 tt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 64.54 110.908 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.656 ' HB3' HD13 ' A' ' 30' ' ' ILE . 7.4 ptmt . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.852 0.358 . . . . 63.44 110.918 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.1 ttpt -140.01 149.58 43.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 73.4 110.859 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.666 ' N ' HG22 ' A' ' 28' ' ' THR . 46.4 t -72.46 116.48 49.84 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 54.21 110.855 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.459 ' HD3' HG22 ' A' ' 29' ' ' VAL . 53.3 Cg_endo -69.79 -5.59 16.58 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.657 2.238 . . . . 54.1 112.339 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.21 -45.43 7.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 65.22 110.872 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.3 m -107.73 -56.33 2.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 64.55 110.882 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.63 29.17 1.61 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.76 -0.733 . . . . 52.52 112.493 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' ' 15' ' ' TYR . 8.1 tp -93.77 132.09 38.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.363 . . . . 64.05 110.94 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.456 ' N ' HD12 ' A' ' 14' ' ' LEU . 30.2 m-85 -83.4 144.57 29.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 72.2 110.914 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.438 HG22 HG21 ' A' ' 28' ' ' THR . 15.2 t -175.36 179.58 1.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 61.35 111.166 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.8 mt -129.86 3.2 4.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 74.43 110.94 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -79.02 -3.26 44.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 73.42 110.931 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 64.39 8.96 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 75.43 110.884 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.633 HD13 ' HA ' ' A' ' 27' ' ' LYS . 31.9 mm -144.95 133.95 17.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 71.35 111.163 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.1 t -75.21 114.3 34.03 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.684 0.754 . . . . 75.15 110.846 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.438 ' HD2' HD23 ' A' ' 14' ' ' LEU . 52.8 Cg_endo -69.75 -6.52 18.79 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.707 2.272 . . . . 50.2 112.292 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.64 -60.82 1.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 74.23 110.916 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.9 p -102.55 -38.83 7.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 63.35 110.906 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.568 ' O ' HG23 ' A' ' 20' ' ' ILE . . . 122.42 -26.8 6.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.757 . . . . 73.12 112.509 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -50.83 142.8 10.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.967 0.413 . . . . 73.2 110.929 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.633 ' HA ' HD13 ' A' ' 20' ' ' ILE . 9.8 mtmm -64.5 145.07 56.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 55.01 110.887 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.666 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.0 OUTLIER -89.32 155.21 19.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 54.34 111.102 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.459 HG22 ' HD3' ' A' ' 10' ' ' PRO . 11.5 m -133.02 150.75 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 75.25 111.178 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.656 HD13 ' HB3' ' A' ' 7' ' ' LYS . 33.2 mm -62.95 112.58 7.04 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.564 0.697 . . . . 73.0 111.097 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.183 0 C-N-CA 122.674 2.25 . . . . 64.31 112.381 179.865 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 8.2 m95 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.799 0.333 . . . . 72.14 110.892 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.47 -85.54 0.26 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.687 -0.768 . . . . 62.44 112.529 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -52.11 -29.8 23.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.782 0.325 . . . . 71.42 110.947 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -56.92 -29.53 63.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 75.32 110.893 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -51.91 -31.8 30.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.917 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.3 ttm-85 -51.51 -68.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 43.42 110.899 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -54.03 -27.58 32.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 71.22 110.908 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.519 ' O ' HD13 ' A' ' 49' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.235 -0.439 . . . . 72.31 110.951 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.596 ' HB3' HD13 ' A' ' 30' ' ' ILE . 9.0 ptmt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.86 0.362 . . . . 73.23 110.902 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -144.88 149.2 34.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 74.52 110.882 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.536 ' N ' HG22 ' A' ' 28' ' ' THR . 48.9 t -72.39 116.59 50.8 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.635 0.731 . . . . 73.41 110.933 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.647 ' HD3' HG22 ' A' ' 29' ' ' VAL . 54.0 Cg_endo -69.82 -6.02 17.63 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.708 2.272 . . . . 71.41 112.295 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -95.47 -44.58 7.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 73.54 110.915 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.0 m -107.89 -57.01 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 73.43 110.857 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.16 28.23 1.7 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 32.21 112.407 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 15' ' ' TYR . 8.8 tp -92.69 131.19 37.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.806 0.336 . . . . 73.34 110.919 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.44 ' N ' HD12 ' A' ' 14' ' ' LEU . 34.9 m-85 -83.73 144.39 29.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 75.42 110.901 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.427 HG22 HG21 ' A' ' 28' ' ' THR . 15.3 t -175.27 -179.56 1.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.069 -0.514 . . . . 62.43 111.116 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 mt -131.04 4.06 4.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 61.41 110.92 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt -80.52 -0.47 37.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 61.44 110.919 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.439 ' O ' HD13 ' A' ' 20' ' ' ILE . 6.0 mt-10 63.57 10.22 4.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 61.03 110.835 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.632 HD13 ' HA ' ' A' ' 27' ' ' LYS . 28.1 mm -143.96 145.2 22.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 73.04 111.12 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.6 t -90.31 111.17 45.61 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.648 0.737 . . . . 61.24 110.923 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -6.71 19.22 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 73.21 112.393 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.76 -60.21 2.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.892 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.7 p -101.92 -36.15 8.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 70.41 110.918 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.09 28.4 4.97 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.708 -0.758 . . . . 51.01 112.482 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -110.3 137.67 47.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.015 0.436 . . . . 65.21 110.852 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.632 ' HA ' HD13 ' A' ' 20' ' ' ILE . 13.8 mttm -50.62 142.17 11.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 74.53 110.879 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.536 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.2 p -90.68 159.11 16.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 74.54 111.134 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.647 HG22 ' HD3' ' A' ' 10' ' ' PRO . 13.2 m -136.46 153.79 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 64.32 111.099 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.596 HD13 ' HB3' ' A' ' 7' ' ' LYS . 33.4 mm -63.63 113.07 8.6 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.697 0.761 . . . . 72.31 111.081 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.243 . . . . 55.05 112.336 179.864 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.725 0.298 . . . . 72.33 110.855 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.9 -30.85 54.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.681 -0.771 . . . . 43.12 112.489 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -64.95 -19.17 65.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.741 0.305 . . . . 71.55 110.885 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -53.23 -33.29 52.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 75.13 110.953 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -56.07 -24.8 42.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 73.1 110.862 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -87.17 -41.47 13.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 55.42 110.876 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.1 mmt -101.46 35.1 2.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 63.34 110.927 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 72.32 110.934 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.519 ' HB3' HD13 ' A' ' 30' ' ' ILE . 4.4 ptmt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.901 0.381 . . . . 65.52 110.876 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -145.92 148.85 33.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 63.52 110.957 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.583 ' N ' HG22 ' A' ' 28' ' ' THR . 49.3 t -72.19 116.78 52.37 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.564 0.697 . . . . 71.42 110.904 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.5 ' HD3' HG22 ' A' ' 29' ' ' VAL . 54.1 Cg_endo -69.71 -6.0 17.53 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.789 2.326 . . . . 74.13 112.318 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.89 -45.16 7.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 63.23 110.862 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.6 m -106.59 -56.59 2.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 73.1 110.876 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.77 29.58 1.67 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.713 -0.756 . . . . 65.23 112.513 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 15' ' ' TYR . 7.5 tp -95.76 131.17 42.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.795 0.331 . . . . 70.14 111.004 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.463 ' N ' HD12 ' A' ' 14' ' ' LEU . 46.5 m-85 -82.88 146.22 29.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 75.01 110.9 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -174.48 -179.37 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 44.21 111.186 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.0 mt -129.98 2.68 4.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 72.1 110.894 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -80.14 -1.5 40.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 75.24 110.818 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 65.05 7.99 4.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 74.13 110.925 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.731 HD13 ' HA ' ' A' ' 27' ' ' LYS . 27.4 mm -144.13 143.37 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.25 111.19 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.7 t -82.9 112.8 40.87 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.646 0.736 . . . . 65.2 110.898 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -5.32 15.95 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.713 2.275 . . . . 72.45 112.362 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.74 -61.44 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 44.44 110.914 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.5 p -99.8 -36.66 9.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 71.15 110.908 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.99 30.37 5.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 54.52 112.489 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -108.29 139.47 42.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.003 0.43 . . . . 64.01 110.856 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.731 ' HA ' HD13 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -50.62 137.03 20.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 73.54 110.965 179.866 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.583 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.2 p -90.68 161.36 15.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 61.31 111.092 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.5 HG22 ' HD3' ' A' ' 10' ' ' PRO . 17.6 m -138.94 154.3 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 54.32 111.138 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.519 HD13 ' HB3' ' A' ' 7' ' ' LYS . 33.0 mm -63.5 112.8 7.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.649 0.738 . . . . 74.2 111.177 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.159 0 C-N-CA 122.705 2.27 . . . . 63.2 112.285 179.945 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 21.2 m95 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.807 0.337 . . . . 74.32 110.923 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.03 -30.39 30.43 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.825 -0.702 . . . . 73.52 112.456 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.8 mtmt -88.06 -29.49 20.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 72.33 110.924 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -52.42 -31.22 33.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 62.24 110.933 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -57.89 -65.75 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 74.12 110.934 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -55.01 -39.22 68.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 72.21 110.841 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.1 mmt -62.79 -25.23 68.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 73.45 110.783 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.417 ' O ' HD23 ' A' ' 49' ' ' LEU . 1.4 tt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.437 . . . . 70.05 110.907 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.511 ' HB3' HD13 ' A' ' 30' ' ' ILE . 7.5 ptmt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.752 0.31 . . . . 63.1 110.907 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -143.47 149.27 37.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.277 -0.419 . . . . 74.34 110.86 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.631 ' N ' HG22 ' A' ' 28' ' ' THR . 47.6 t -72.02 117.15 55.59 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.623 0.725 . . . . 74.52 110.912 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.538 ' HD3' HG22 ' A' ' 29' ' ' VAL . 53.6 Cg_endo -69.77 -5.78 17.02 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.72 2.28 . . . . 71.45 112.322 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.65 -44.84 7.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 73.2 110.882 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.0 m -108.43 -56.07 2.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 74.13 110.949 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.89 34.73 1.02 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 25.2 112.495 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.432 HD23 ' HD2' ' A' ' 22' ' ' PRO . 8.5 tp -98.36 129.52 45.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 74.22 110.91 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.431 ' N ' HD12 ' A' ' 14' ' ' LEU . 3.1 m-85 -81.88 144.89 30.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 75.03 110.929 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -176.02 -179.77 1.19 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.479 . . . . 72.32 111.16 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mt -128.55 0.49 5.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 72.5 110.924 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -77.42 -3.3 39.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 71.13 110.891 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 64.92 8.32 4.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.243 -0.435 . . . . 74.41 110.888 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.444 HD13 ' HA ' ' A' ' 27' ' ' LYS . 13.0 mm -141.03 143.39 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 61.1 111.153 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.9 t -87.6 111.39 41.51 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.65 0.738 . . . . 72.21 110.888 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.432 ' HD2' HD23 ' A' ' 14' ' ' LEU . 53.5 Cg_endo -69.7 -6.67 19.12 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 61.22 112.337 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.79 -59.34 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.428 . . . . 75.54 110.886 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.5 p -104.2 -36.78 7.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 45.05 110.849 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.99 28.75 4.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.726 . . . . 72.22 112.526 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -107.98 139.61 42.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 70.44 110.924 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.444 ' HA ' HD13 ' A' ' 20' ' ' ILE . 1.1 mptp? -52.08 139.76 22.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 71.43 110.964 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.631 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.1 p -91.14 154.88 19.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.25 -0.432 . . . . 71.11 111.134 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.538 HG22 ' HD3' ' A' ' 10' ' ' PRO . 17.4 m -132.85 154.27 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 71.52 111.212 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.511 HD13 ' HB3' ' A' ' 7' ' ' LYS . 33.7 mm -62.8 112.31 6.46 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.572 0.701 . . . . 64.42 111.148 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.341 0.151 0 C-N-CA 122.635 2.223 . . . . 61.21 112.367 179.878 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 23.0 m95 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.757 0.313 . . . . 74.42 110.937 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.28 -31.98 35.84 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.737 . . . . 74.22 112.539 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -88.04 -26.01 22.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 70.32 110.887 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -54.59 -27.07 36.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 54.2 110.951 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.1 tpp85 -52.14 -30.12 25.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.076 -0.511 . . . . 75.05 110.868 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.6 mtt-85 -56.76 -32.07 65.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 73.01 110.886 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.6 mmt -99.29 -30.82 12.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 64.01 110.925 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.441 ' O ' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 73.41 110.899 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.639 ' HB3' HD13 ' A' ' 30' ' ' ILE . 8.5 ptmt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.826 0.346 . . . . 65.43 110.911 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -141.37 148.87 40.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 53.01 110.846 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.689 ' N ' HG22 ' A' ' 28' ' ' THR . 47.2 t -71.73 117.25 55.94 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.628 0.728 . . . . 72.42 110.85 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.531 ' HD3' HG22 ' A' ' 29' ' ' VAL . 53.8 Cg_endo -69.74 -5.91 17.33 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.67 2.247 . . . . 63.44 112.336 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.2 -42.8 8.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 61.32 110.888 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.7 m -109.8 -56.99 2.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 54.05 110.798 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.67 31.6 1.33 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.766 -0.731 . . . . 64.15 112.507 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 15' ' ' TYR . 6.7 tp -97.26 130.92 44.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.793 0.33 . . . . 73.14 110.92 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.468 ' N ' HD12 ' A' ' 14' ' ' LEU . 1.1 m-85 -80.32 145.46 32.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 63.5 110.881 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.484 HG22 HG21 ' A' ' 28' ' ' THR . 15.1 t -175.68 174.68 2.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 72.33 111.157 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 mt -125.31 2.77 7.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 72.14 110.844 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -80.38 -2.73 46.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 72.14 110.886 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 63.18 10.33 4.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 73.42 110.847 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.636 HD13 ' HA ' ' A' ' 27' ' ' LYS . 32.0 mm -144.79 134.1 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 73.41 111.08 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.2 t -74.86 114.63 36.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.562 0.696 . . . . 64.14 110.848 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.411 ' HD2' HD23 ' A' ' 14' ' ' LEU . 53.9 Cg_endo -69.78 -5.62 16.65 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.685 2.257 . . . . 61.1 112.337 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.59 -61.97 1.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 71.53 110.837 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.3 p -100.92 -37.79 8.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 70.04 110.87 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.582 ' O ' HG23 ' A' ' 20' ' ' ILE . . . 120.46 -26.8 6.84 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.628 -0.796 . . . . 64.03 112.499 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -50.75 141.57 12.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.993 0.425 . . . . 52.21 110.813 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.636 ' HA ' HD13 ' A' ' 20' ' ' ILE . 12.0 mtmt -63.51 143.92 57.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 72.42 110.868 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.689 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.0 OUTLIER -87.24 158.16 19.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.283 -0.417 . . . . 64.34 111.106 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.531 HG22 ' HD3' ' A' ' 10' ' ' PRO . 16.0 m -136.42 155.22 33.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 61.34 111.186 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.639 HD13 ' HB3' ' A' ' 7' ' ' LYS . 24.1 mm -63.43 112.57 7.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 64.12 111.133 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.342 0.198 0 C-N-CA 122.669 2.246 . . . . 65.34 112.322 179.945 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.814 0.34 . . . . 61.13 110.94 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.8 -27.86 45.11 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.676 -0.773 . . . . 24.04 112.498 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -68.59 -31.24 70.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 64.15 110.904 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -57.99 -24.81 59.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 62.24 110.936 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -31.04 31.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 72.23 110.874 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.3 mtp85 -59.9 -33.02 71.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 74.53 110.876 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 29.3 mmt -91.91 -23.61 19.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 64.33 110.844 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.7 tp . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.234 -0.439 . . . . 64.24 110.844 -179.971 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.816 0.341 . . . . 65.33 110.935 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -146.2 147.18 31.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.314 -0.403 . . . . 75.12 110.934 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.581 ' N ' HG22 ' A' ' 28' ' ' THR . 48.5 t -72.25 116.29 47.54 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.581 0.705 . . . . 70.32 110.896 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.582 ' HD3' HG22 ' A' ' 29' ' ' VAL . 53.6 Cg_endo -69.75 -6.68 19.17 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.707 2.272 . . . . 71.13 112.361 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -94.43 -44.26 7.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 75.15 110.845 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.3 m -108.29 -56.41 2.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.918 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.57 20.8 3.13 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.685 -0.769 . . . . 73.21 112.436 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.45 HD12 ' N ' ' A' ' 15' ' ' TYR . 9.0 tp -85.14 132.75 34.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.87 0.366 . . . . 74.04 110.916 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.45 ' N ' HD12 ' A' ' 14' ' ' LEU . 26.7 m-85 -85.86 144.06 27.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 44.23 110.967 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.4 t -175.16 179.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.32 111.115 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 mt -130.18 5.01 4.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 61.14 110.941 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.4 mtpt -80.62 -1.19 41.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 54.53 110.932 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.435 ' O ' HD13 ' A' ' 20' ' ' ILE . 9.6 mt-10 63.79 9.96 4.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 75.04 110.89 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.675 HD13 ' HA ' ' A' ' 27' ' ' LYS . 29.2 mm -144.58 144.25 22.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 64.33 111.112 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.9 t -88.29 111.48 43.62 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.599 0.714 . . . . 73.11 110.863 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -6.35 18.36 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 63.53 112.386 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.62 -62.46 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 63.23 110.889 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.3 p -98.07 -36.17 10.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 63.52 110.903 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.4 29.2 5.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 71.22 112.536 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -111.39 138.64 47.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.378 . . . . 75.11 110.913 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.675 ' HA ' HD13 ' A' ' 20' ' ' ILE . 19.1 mtmt -49.83 143.53 7.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 65.45 110.914 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.581 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.0 OUTLIER -94.53 156.97 16.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 61.01 111.111 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.582 HG22 ' HD3' ' A' ' 10' ' ' PRO . 10.3 m -131.8 147.35 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 74.34 111.133 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.436 ' N ' HD12 ' A' ' 30' ' ' ILE . 2.1 mp -64.82 113.33 10.51 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.714 0.769 . . . . 75.34 111.153 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.68 2.254 . . . . 74.41 112.348 179.918 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 7.2 m0 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.804 0.335 . . . . 71.42 110.944 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.34 -29.34 68.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.779 -0.724 . . . . 64.12 112.429 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -84.64 -27.06 27.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.733 0.302 . . . . 75.33 110.905 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -69.7 -31.38 69.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.271 -0.422 . . . . 62.21 110.884 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.5 tpt85 -60.58 -35.95 77.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 74.22 110.855 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -30.32 71.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 71.43 110.908 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.1 tpt -82.56 -33.33 28.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 54.41 110.932 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.526 ' O ' HD23 ' A' ' 49' ' ' LEU . 1.8 tt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 73.03 110.965 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.531 -0.228 . . . . 72.25 112.531 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 59.5 p -68.83 -50.37 50.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.355 . . . . 71.24 110.86 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 30.2 p80 -86.45 136.98 32.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 71.45 110.882 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 ptm -73.74 138.09 44.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 65.14 110.937 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.1 m -91.01 146.79 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 43.21 111.14 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -55.05 141.56 33.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 75.13 110.878 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.2 158.69 1.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 73.42 110.885 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.16 -176.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 72.22 110.846 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.538 ' HA ' HD23 ' A' ' 17' ' ' LEU . 3.4 ptm -52.22 159.37 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 70.45 110.839 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.477 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -115.84 178.3 4.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 73.21 110.908 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -135.76 145.89 47.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 70.05 110.895 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.565 ' N ' HG22 ' A' ' 28' ' ' THR . 46.2 t -72.38 117.64 60.6 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.57 0.7 . . . . 62.05 110.878 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.617 ' HD3' HG22 ' A' ' 29' ' ' VAL . 53.7 Cg_endo -69.83 -5.44 16.25 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.679 2.253 . . . . 75.01 112.321 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.49 -43.83 7.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 41.45 110.89 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.7 m -109.24 -56.8 2.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 65.13 110.9 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.07 25.06 2.34 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 60.5 112.503 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 15' ' ' TYR . 8.8 tp -91.24 133.86 35.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.763 0.316 . . . . 71.35 110.922 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.466 ' N ' HD12 ' A' ' 14' ' ' LEU . 49.7 m-85 -87.47 146.7 25.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 65.34 110.901 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.402 HG22 HG21 ' A' ' 28' ' ' THR . 10.2 t -175.6 166.8 3.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 72.04 111.137 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.538 HD23 ' HA ' ' A' ' 6' ' ' MET . 4.8 mt -116.23 14.41 15.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 75.33 110.919 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -92.65 -0.34 57.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 74.31 110.91 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.434 ' O ' HD13 ' A' ' 20' ' ' ILE . 3.1 mt-10 62.53 11.04 4.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 75.11 110.928 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.64 HD13 ' HA ' ' A' ' 27' ' ' LYS . 28.8 mm -144.01 145.42 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 72.41 111.134 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.1 t -90.1 111.06 44.65 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.611 0.72 . . . . 63.2 110.918 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -6.81 19.5 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.676 2.251 . . . . 64.04 112.345 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.01 -60.23 2.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 75.33 110.877 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.2 p -102.67 -36.12 8.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 71.33 110.888 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.02 27.83 4.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 61.21 112.473 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -109.28 138.03 46.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.901 0.381 . . . . 63.3 110.865 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.64 ' HA ' HD13 ' A' ' 20' ' ' ILE . 10.8 mtmm -50.88 143.39 10.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 74.32 110.905 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.565 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.0 OUTLIER -92.18 150.68 20.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 73.22 111.132 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.617 HG22 ' HD3' ' A' ' 10' ' ' PRO . 12.4 m -129.17 156.89 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 61.45 111.157 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.477 HD13 ' HB3' ' A' ' 7' ' ' LYS . 37.8 mm -63.4 113.22 8.91 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.654 0.74 . . . . 74.32 111.116 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -25.25 28.84 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.69 2.26 . . . . 73.04 112.377 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -113.92 75.64 2.97 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.565 0.698 . . . . 74.41 110.895 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 167.78 23.43 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.245 . . . . 71.4 112.385 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 126.5 13.37 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.742 2.295 . . . . 64.34 112.307 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -100.17 -33.84 10.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 72.54 110.896 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -112.44 110.5 20.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 61.2 110.885 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.6 m -112.1 118.55 35.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 53.34 110.859 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.7 mt -66.06 -40.51 90.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 61.42 110.907 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -125.02 -37.14 2.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 75.45 110.867 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.7 t0 63.43 30.84 15.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 72.42 110.893 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -54.28 -45.8 72.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 52.33 110.901 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -95.48 20.12 9.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 73.42 110.946 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.51 -87.42 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 62.24 112.47 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -52.97 -28.86 25.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 65.15 110.949 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -53.98 -28.27 36.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 75.43 110.957 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.8 ttt-85 -52.66 -32.29 41.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 73.52 110.836 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.1 mmm-85 -61.29 -32.86 72.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 74.14 110.896 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 6.4 ttm -115.52 25.54 10.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 45.22 110.892 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.8 tt -87.96 -27.85 21.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.919 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.68 125.32 19.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 51.24 110.889 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -143.31 169.78 17.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.02 110.888 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -106.94 105.73 15.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 51.42 111.082 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.2 tp -151.9 117.96 5.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 72.33 110.862 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.8 123.93 34.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 73.23 110.889 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -122.63 166.2 15.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 52.51 110.873 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -112.72 126.26 55.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 73.51 110.879 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -71.89 154.33 41.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 74.53 110.907 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -120.28 139.97 51.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 73.34 110.918 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.33 128.48 34.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 72.45 111.077 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.881 -179.926 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.462 -0.255 . . . . 60.44 112.462 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 9.2 p -137.34 125.21 22.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.933 0.397 . . . . 74.24 110.797 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -116.18 160.67 20.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.072 -0.513 . . . . 43.14 110.881 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 ptm -132.84 152.33 51.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 55.41 110.89 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.0 m -117.31 159.2 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 72.34 111.138 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -145.55 176.67 9.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 54.44 110.938 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 15.2 mmt -117.01 -29.91 5.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 55.42 110.89 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 ptt180 -60.56 -21.99 63.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 72.3 110.947 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.502 ' HA ' HD23 ' A' ' 17' ' ' LEU . 4.4 ptm -77.68 -171.2 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 74.14 110.841 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.621 ' HB3' HD13 ' A' ' 30' ' ' ILE . 7.8 ptmt -132.51 178.3 6.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 71.44 110.936 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -145.54 148.78 33.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 64.2 110.885 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.591 ' N ' HG22 ' A' ' 28' ' ' THR . 48.0 t -72.53 116.47 49.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.647 0.737 . . . . 64.4 110.868 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.637 ' HD3' HG22 ' A' ' 29' ' ' VAL . 54.4 Cg_endo -69.74 -6.07 17.7 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.72 2.28 . . . . 65.03 112.368 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -95.09 -45.1 7.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 74.34 110.915 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.9 m -107.4 -56.75 2.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 73.02 110.876 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.96 26.62 2.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.787 -0.72 . . . . 74.23 112.432 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 15' ' ' TYR . 8.9 tp -90.79 132.84 35.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 75.1 110.92 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.455 ' N ' HD12 ' A' ' 14' ' ' LEU . 28.9 m-85 -84.85 143.39 29.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 72.42 110.993 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.5 t -175.17 175.15 2.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 54.45 111.124 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.502 HD23 ' HA ' ' A' ' 6' ' ' MET . 2.0 mt -126.54 7.67 6.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 64.33 110.965 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -83.88 -0.16 50.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 73.41 110.888 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.437 ' O ' HD13 ' A' ' 20' ' ' ILE . 5.5 mt-10 63.06 10.44 4.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 64.01 110.925 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.669 HD13 ' HA ' ' A' ' 27' ' ' LYS . 30.6 mm -144.1 144.9 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 64.5 111.143 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.5 t -89.98 111.02 44.18 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.553 0.692 . . . . 44.31 110.907 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -6.61 19.01 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.675 2.25 . . . . 72.32 112.353 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.84 -60.92 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 74.54 110.96 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.6 p -100.92 -35.87 9.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 71.52 110.933 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.44 28.49 5.13 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.76 -0.733 . . . . 63.44 112.506 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -110.49 138.01 47.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.875 0.369 . . . . 73.32 110.903 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.669 ' HA ' HD13 ' A' ' 20' ' ' ILE . 26.4 ttpt -50.52 142.76 10.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 72.53 110.938 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.591 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.0 OUTLIER -91.91 159.46 15.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 72.33 111.136 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.637 HG22 ' HD3' ' A' ' 10' ' ' PRO . 13.4 m -136.03 154.79 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 44.11 111.191 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.621 HD13 ' HB3' ' A' ' 7' ' ' LYS . 30.5 mm -63.93 113.03 8.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.661 0.743 . . . . 64.43 111.083 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -171.66 0.5 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.714 2.276 . . . . 64.23 112.286 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.4 mtmm -114.87 76.07 4.11 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.54 0.686 . . . . 73.21 110.882 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 167.8 23.37 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.61 2.207 . . . . 74.24 112.331 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 126.47 13.35 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.763 2.309 . . . . 64.35 112.327 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -152.41 147.88 26.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 74.41 110.841 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -54.39 103.99 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 72.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 m -85.32 168.19 14.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 74.44 110.846 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.6 mt -70.09 -31.77 69.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 65.43 110.979 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -156.32 119.63 4.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 62.33 110.925 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -103.65 143.46 32.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 71.35 110.897 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -64.22 -64.84 0.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 70.01 110.898 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 32.7 m95 -98.73 -24.08 15.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 71.21 110.884 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.2 -87.2 0.19 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 72.35 112.476 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -51.88 -31.75 29.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.32 . . . . 65.33 110.893 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -77.57 -33.29 54.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 60.15 110.886 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.7 tpp85 -58.9 -31.05 68.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 64.14 110.915 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -57.03 -32.98 66.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 72.34 110.87 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.7 mtm -96.7 -29.26 13.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 70.22 110.851 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 49' ' ' LEU . 0.4 OUTLIER -51.99 -64.15 0.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 62.15 110.904 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm -78.4 115.8 18.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 70.23 110.919 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -94.1 122.96 37.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.305 -0.407 . . . . 75.44 110.886 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.22 -36.11 11.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 74.11 111.13 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.66 133.7 51.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 74.45 110.933 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.6 tttt -168.19 153.44 6.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 73.13 110.977 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -104.13 169.26 8.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 71.14 110.927 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.29 112.5 25.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 72.15 110.856 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -64.93 122.84 17.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 72.45 110.945 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -113.64 128.4 56.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 70.01 110.896 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -161.76 162.05 29.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 64.12 111.034 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.18 -0.464 . . . . 72.43 110.897 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.451 -0.26 . . . . 63.22 112.451 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.1 p -92.37 -35.73 13.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 74.32 110.793 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 22.2 m80 56.72 40.64 29.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 73.42 110.891 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.6 ptm -90.38 160.18 16.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 73.03 110.887 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.9 p -98.74 144.03 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 61.43 111.128 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -113.45 105.61 13.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 70.1 110.898 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 18.1 mmm -145.79 156.13 43.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 71.22 110.842 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.493 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -58.77 133.21 55.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 72.12 110.896 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.3 ptm -174.1 -176.18 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 71.12 110.91 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.51 163.59 22.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 65.41 110.938 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -134.68 147.33 50.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 62.02 110.865 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.555 ' N ' HG22 ' A' ' 28' ' ' THR . 48.7 t -71.93 117.26 56.38 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.631 0.729 . . . . 61.11 110.873 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.4 ' HD3' HG22 ' A' ' 29' ' ' VAL . 53.9 Cg_endo -69.71 -5.84 17.15 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.644 2.229 . . . . 64.01 112.329 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.43 -43.26 7.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 73.23 110.865 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.7 m -107.99 -57.18 2.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 63.33 110.885 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.02 21.51 3.14 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.68 -0.771 . . . . 62.33 112.493 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 15' ' ' TYR . 8.8 tp -87.53 133.65 33.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.764 0.316 . . . . 74.25 110.968 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.466 ' N ' HD12 ' A' ' 14' ' ' LEU . 44.7 m-85 -87.35 147.84 25.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.025 0.441 . . . . 72.34 110.919 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.7 t -175.16 175.68 2.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 63.21 111.149 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.493 HD21 ' O ' ' A' ' 5' ' ' ARG . 4.7 mt -122.68 1.45 9.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 73.43 110.9 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -80.29 -1.1 39.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.904 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 63.22 10.29 4.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.412 . . . . 71.44 110.899 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.669 HD13 ' HA ' ' A' ' 27' ' ' LYS . 26.5 mm -143.06 145.73 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 74.53 111.072 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.8 t -88.71 111.34 43.6 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.609 0.719 . . . . 43.51 110.887 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -7.56 21.39 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 73.25 112.368 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.75 -60.54 2.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 72.44 110.855 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.1 p -103.08 -36.75 8.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.274 -0.421 . . . . 75.53 110.899 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.04 28.33 4.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.741 . . . . 73.21 112.501 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -107.87 136.52 47.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.96 0.409 . . . . 74.01 110.89 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.669 ' HA ' HD13 ' A' ' 20' ' ' ILE . 20.5 mttp -51.4 139.59 19.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.496 . . . . 73.11 110.867 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.555 HG22 ' N ' ' A' ' 9' ' ' CYS . 4.6 p -91.24 156.76 17.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 42.5 111.197 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.4 HG22 ' HD3' ' A' ' 10' ' ' PRO . 15.1 m -130.8 153.24 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 61.01 111.177 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.8 mm -60.99 112.25 5.45 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.636 0.731 . . . . 73.13 111.13 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -171.76 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.735 2.29 . . . . 72.22 112.306 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -113.81 75.89 2.95 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 63.22 110.959 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 167.68 23.64 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.703 2.269 . . . . 64.33 112.359 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 178.63 4.39 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.702 2.268 . . . . 75.11 112.367 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -89.82 -29.31 18.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.282 -0.417 . . . . 74.11 110.892 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -53.23 110.66 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 74.21 110.837 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.0 t -154.12 155.51 35.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.052 -0.522 . . . . 74.32 110.821 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.97 -28.49 65.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 75.41 110.922 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -129.52 117.01 19.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 72.14 110.932 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -141.95 127.14 18.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 74.33 110.892 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -59.69 -33.74 71.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 75.35 110.953 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 14.7 m95 -95.05 20.22 9.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 75.13 110.931 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.11 -29.13 27.86 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 43.53 112.445 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -88.45 -25.67 22.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.728 0.299 . . . . 65.33 110.859 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -52.99 -28.83 25.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 52.3 110.94 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -52.4 -33.24 42.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 73.44 110.869 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -58.53 -31.78 68.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.275 -0.42 . . . . 73.33 110.885 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.2 tpt -97.71 -26.24 14.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 72.13 110.884 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.49 ' O ' HD23 ' A' ' 49' ' ' LEU . 2.3 tt -52.09 -30.64 27.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 65.33 110.916 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.8 mttm -79.75 169.02 18.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 53.25 110.871 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.59 32.79 7.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 73.12 110.845 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -87.16 -26.05 23.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 54.22 111.107 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 tp -131.99 166.12 22.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 70.14 110.928 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -90.97 -179.31 5.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.893 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -59.86 112.38 1.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 72.13 110.879 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -100.27 142.69 31.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 74.41 110.909 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -61.34 128.98 38.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 75.41 110.935 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.8 mmtm -117.13 140.04 50.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 70.34 110.889 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.83 132.25 34.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 51.1 111.115 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 72.25 110.842 -179.913 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.521 -0.232 . . . . 74.02 112.521 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.2 m -120.83 28.59 7.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.856 0.36 . . . . 44.5 110.796 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 54.9 m170 -125.06 -43.15 1.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 74.23 110.826 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpp? -63.4 -27.93 69.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 74.04 110.868 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.708 HG23 ' HG3' ' A' ' 3' ' ' GLU . 21.8 m -93.27 179.94 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 65.33 111.136 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.708 ' HG3' HG23 ' A' ' 2' ' ' VAL . 23.4 mt-10 60.04 28.98 18.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 73.32 110.854 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 12.9 mmm -56.6 -24.53 48.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 75.04 110.857 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -57.51 -24.3 55.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 63.42 110.901 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.463 ' HA ' HD23 ' A' ' 17' ' ' LEU . 7.4 ptm -73.2 -171.23 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 52.12 110.955 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.41 178.65 6.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 71.33 110.897 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -144.07 148.93 35.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 74.02 110.942 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.674 ' N ' HG22 ' A' ' 28' ' ' THR . 48.2 t -72.76 116.55 51.14 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.619 0.724 . . . . 71.13 110.903 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.542 ' HD3' HG22 ' A' ' 29' ' ' VAL . 54.0 Cg_endo -69.67 -6.08 17.7 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.714 2.276 . . . . 74.23 112.304 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -94.82 -46.0 7.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 62.34 110.913 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.4 m -106.52 -56.51 2.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 74.24 110.839 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.17 29.09 1.7 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 72.34 112.476 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.483 HD12 ' N ' ' A' ' 15' ' ' TYR . 8.0 tp -94.17 133.21 37.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 55.1 110.909 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.483 ' N ' HD12 ' A' ' 14' ' ' LEU . 27.5 m-85 -84.48 144.42 28.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 71.11 110.924 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.9 t -174.71 175.04 2.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 71.14 111.145 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 6' ' ' MET . 4.7 mt -125.32 2.86 7.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 73.22 110.883 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -79.07 -1.44 35.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 54.41 110.881 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 65.31 7.99 4.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 74.05 110.861 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.711 HD13 ' HA ' ' A' ' 27' ' ' LYS . 27.3 mm -143.56 145.66 22.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 53.21 111.162 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.3 t -86.7 111.73 41.91 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.564 0.697 . . . . 74.32 110.921 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -6.1 17.79 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.653 2.236 . . . . 62.04 112.405 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.32 -61.63 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 74.24 110.929 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.5 p -99.95 -36.14 9.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 64.22 110.87 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.3 29.48 5.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 73.51 112.438 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -109.8 139.13 45.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.913 0.387 . . . . 74.31 110.85 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.711 ' HA ' HD13 ' A' ' 20' ' ' ILE . 0.7 OUTLIER -50.79 140.52 14.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 74.34 110.897 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.674 HG22 ' N ' ' A' ' 9' ' ' CYS . 0.9 OUTLIER -92.37 158.63 15.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 55.13 111.172 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.542 HG22 ' HD3' ' A' ' 10' ' ' PRO . 14.8 m -135.93 160.25 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 71.03 111.164 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.558 HG22 ' H ' ' A' ' 32' ' ' LYS . 41.9 mm -64.88 113.38 10.77 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.656 0.741 . . . . 75.35 111.072 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -10.13 27.77 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.719 2.279 . . . . 73.51 112.322 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.558 ' H ' HG22 ' A' ' 30' ' ' ILE . 2.2 pttt -113.1 75.62 2.15 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.576 0.703 . . . . 73.52 110.927 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 167.68 23.65 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.764 2.309 . . . . 54.3 112.365 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -172.33 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.727 2.285 . . . . 52.5 112.326 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -73.89 174.45 8.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 75.2 110.903 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 19.1 t80 54.18 43.23 30.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 73.34 110.887 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.9 m -91.39 149.84 21.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.488 . . . . 54.34 110.916 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.4 tp -71.38 -27.27 63.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 55.53 110.888 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -56.62 -26.07 54.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 73.54 110.89 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -52.09 136.1 30.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 62.04 110.864 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -60.62 -67.41 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 73.21 110.865 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 25.0 m0 -93.56 -24.0 18.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.144 -0.48 . . . . 72.25 110.887 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.7 -89.19 0.15 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 50.03 112.533 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -51.8 -32.38 31.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.795 0.331 . . . . 74.23 110.896 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -84.39 -32.31 24.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 73.31 110.945 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -60.32 -26.53 66.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 75.5 110.873 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.7 tpt85 -52.04 -39.05 58.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 65.44 110.906 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.5 mmt -101.59 -32.02 10.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 72.11 110.886 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.448 ' O ' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -60.64 -26.44 67.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 73.02 110.899 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.55 163.71 3.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 70.3 110.929 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -127.29 129.14 47.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 60.03 110.829 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -110.42 -30.6 7.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 74.24 111.155 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.88 121.52 9.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.869 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -114.44 128.79 56.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 72.53 110.891 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -73.54 166.37 23.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 54.11 110.862 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -57.98 174.58 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 63.23 110.882 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -68.72 120.06 14.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 62.32 110.806 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.81 111.29 23.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 71.13 110.887 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.68 -51.01 21.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 63.52 111.076 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 71.24 110.968 -179.885 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.478 -0.249 . . . . 62.23 112.478 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.5 m -64.76 130.61 44.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.905 0.383 . . . . 53.03 110.858 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -140.82 157.18 45.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 74.23 110.877 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 ptp -113.13 31.26 6.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 63.55 110.906 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 p -140.54 140.56 33.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.236 -0.438 . . . . 64.51 111.071 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.89 141.79 37.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 64.2 110.915 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 20.8 mtt -154.3 167.56 29.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 73.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.451 ' O ' HD21 ' A' ' 17' ' ' LEU . 1.4 ppt_? -52.75 144.08 15.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 74.51 110.925 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.2 ptm -174.14 -169.02 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 73.15 110.926 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.59 ' HB3' HD13 ' A' ' 30' ' ' ILE . 8.8 ptmt -129.52 175.11 9.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 74.14 110.88 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -144.47 149.2 35.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 73.02 110.88 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.574 ' N ' HG22 ' A' ' 28' ' ' THR . 48.5 t -72.15 116.73 51.79 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.619 0.723 . . . . 63.33 110.941 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.642 ' HD3' HG22 ' A' ' 29' ' ' VAL . 52.7 Cg_endo -69.83 -5.71 16.91 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.628 2.219 . . . . 64.34 112.313 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -95.54 -44.74 7.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.843 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.2 m -107.89 -56.65 2.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 75.25 110.926 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.39 30.94 1.33 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.689 -0.767 . . . . 73.12 112.481 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.438 HD12 ' N ' ' A' ' 15' ' ' TYR . 7.3 tp -96.98 129.31 44.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.773 0.32 . . . . 51.51 110.905 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.438 ' N ' HD12 ' A' ' 14' ' ' LEU . 49.7 m-85 -81.16 146.51 30.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 64.04 110.945 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.464 HG22 HG21 ' A' ' 28' ' ' THR . 15.2 t -175.24 179.94 1.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 51.31 111.148 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.451 HD21 ' O ' ' A' ' 5' ' ' ARG . 4.3 mt -130.09 2.76 4.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 71.42 110.917 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.96 -0.62 40.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 62.33 110.912 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.44 ' O ' HD13 ' A' ' 20' ' ' ILE . 7.4 mt-10 63.34 10.6 4.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 71.14 110.882 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.663 HD13 ' HA ' ' A' ' 27' ' ' LYS . 29.3 mm -143.94 144.61 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 72.52 111.136 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.6 t -88.5 111.6 44.81 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.573 0.701 . . . . 72.43 110.913 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -6.54 18.83 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.706 2.27 . . . . 60.32 112.338 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.69 -61.84 1.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 74.43 110.86 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.0 p -99.74 -36.45 9.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 61.43 110.824 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.99 28.03 5.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.786 -0.721 . . . . 71.24 112.452 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -109.59 137.7 47.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.905 0.383 . . . . 62.41 110.947 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.663 ' HA ' HD13 ' A' ' 20' ' ' ILE . 24.2 ttpt -50.5 142.48 10.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 64.42 110.868 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.574 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.1 p -91.4 158.78 16.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 74.33 111.167 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.642 HG22 ' HD3' ' A' ' 10' ' ' PRO . 15.1 m -135.8 154.34 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 70.1 111.172 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.59 HD13 ' HB3' ' A' ' 7' ' ' LYS . 30.5 mm -63.56 112.9 8.09 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.595 0.712 . . . . 62.33 111.165 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 110.1 2.47 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.724 2.283 . . . . 52.24 112.312 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.4 ttmt -115.92 75.88 5.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.52 0.676 . . . . 65.01 110.909 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 167.76 23.45 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.718 2.279 . . . . 63.54 112.289 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.8 178.24 4.8 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.723 2.282 . . . . 74.03 112.267 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -23.19 61.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 75.22 110.885 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -91.09 99.56 12.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 71.13 110.917 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 t -140.12 170.92 14.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 74.34 110.852 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.4 mp -87.25 -26.05 23.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 72.31 110.919 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -60.32 -34.38 73.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 74.05 110.952 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.55 127.72 52.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.081 -0.509 . . . . 71.32 110.866 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.3 mtt-85 -73.84 -53.9 9.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 71.41 110.833 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -84.9 -19.58 32.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 75.15 110.903 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.94 -84.45 0.3 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.795 -0.717 . . . . 21.13 112.43 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.68 -31.37 47.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.808 0.337 . . . . 74.54 110.874 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -60.45 -27.07 67.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 54.41 110.825 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 -52.25 -32.86 38.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 73.51 110.893 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.0 mtt-85 -59.47 -34.04 72.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 74.55 110.905 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.4 mtm -103.95 25.83 9.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 63.35 110.842 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.3 tt -92.02 -29.07 16.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 75.43 110.956 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -13.22 61.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 74.33 110.858 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.1 mmt85 -121.96 122.43 39.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 55.42 110.849 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -110.12 -26.69 9.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 72.13 111.086 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 mp -74.5 124.76 27.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 74.12 110.922 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -78.21 108.62 11.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 72.53 110.889 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -66.56 144.47 56.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 50.44 110.901 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.56 26.14 9.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 65.44 110.88 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.475 HD22 ' HB2' ' A' ' 59' ' ' ALA . 10.0 p-10 -121.56 -37.08 2.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 52.23 110.961 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp 58.38 42.29 21.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 61.34 110.914 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.475 ' HB2' HD22 ' A' ' 57' ' ' ASN . . . -57.93 -26.83 62.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 74.04 111.136 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.163 -0.471 . . . . 62.21 110.84 -179.871 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.552 -0.219 . . . . 74.14 112.552 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 84.1 p -144.7 161.42 39.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 73.34 110.888 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -64.13 -34.29 77.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 75.15 110.831 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 mtp -84.49 171.79 12.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 74.14 110.916 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.8 m -89.98 157.31 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 71.42 111.046 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -96.61 -28.54 14.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 72.22 110.886 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.9 ttt -96.33 143.2 27.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 73.51 110.913 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.446 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.9 OUTLIER -174.53 145.66 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 71.04 110.851 -179.873 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.0 ptm -174.36 -169.36 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 72.42 110.901 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.611 ' HB3' HD13 ' A' ' 30' ' ' ILE . 9.0 ptmt -128.33 176.88 7.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 62.2 110.932 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -145.81 149.24 33.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 71.12 110.931 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.552 ' N ' HG22 ' A' ' 28' ' ' THR . 48.9 t -72.36 116.71 52.01 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.613 0.72 . . . . 63.15 110.857 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.656 ' HD3' HG22 ' A' ' 29' ' ' VAL . 54.1 Cg_endo -69.72 -6.25 18.13 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.705 2.27 . . . . 42.41 112.366 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.45 -43.93 7.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 61.44 110.879 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.9 m -108.36 -57.0 2.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 73.43 110.967 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.5 30.66 1.37 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 54.33 112.531 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.441 HD12 ' N ' ' A' ' 15' ' ' TYR . 7.6 tp -96.47 129.74 43.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 71.34 110.892 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.441 ' N ' HD12 ' A' ' 14' ' ' LEU . 50.1 m-85 -81.51 146.21 30.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 72.31 110.877 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.444 HG22 HG21 ' A' ' 28' ' ' THR . 15.2 t -175.37 -179.96 1.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 72.14 111.15 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.446 HD21 ' O ' ' A' ' 5' ' ' ARG . 4.3 mt -130.45 3.26 4.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 54.54 110.929 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -0.05 39.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 61.22 110.869 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.446 ' O ' HD13 ' A' ' 20' ' ' ILE . 6.7 mt-10 63.05 10.7 4.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 63.42 110.863 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.654 HD13 ' HA ' ' A' ' 27' ' ' LYS . 29.1 mm -143.96 144.99 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 74.02 111.143 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.2 t -89.44 111.3 44.79 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.645 0.735 . . . . 74.25 110.854 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.65 -6.91 19.67 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.756 2.304 . . . . 74.4 112.377 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.78 -61.39 1.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 55.32 110.883 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.7 p -100.37 -35.97 9.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 63.14 110.906 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.58 28.57 5.06 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.808 -0.711 . . . . 65.24 112.543 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -110.79 138.01 47.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.959 0.409 . . . . 74.05 110.889 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.654 ' HA ' HD13 ' A' ' 20' ' ' ILE . 22.3 ttpp -49.95 144.41 6.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 64.14 110.907 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.552 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.1 p -93.42 159.82 15.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.445 . . . . 62.14 111.176 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.656 HG22 ' HD3' ' A' ' 10' ' ' PRO . 16.1 m -136.69 154.28 31.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 65.54 111.151 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.611 HD13 ' HB3' ' A' ' 7' ' ' LYS . 30.2 mm -64.19 112.86 8.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.636 0.731 . . . . 51.31 111.112 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.77 -47.49 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.639 2.226 . . . . 74.44 112.338 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.409 ' HG2' HG22 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -58.84 153.62 41.95 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.528 0.68 . . . . 41.34 110.908 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.85 167.72 23.73 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.684 2.256 . . . . 44.13 112.309 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -175.11 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.658 2.239 . . . . 74.15 112.325 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.03 -23.71 15.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 64.21 110.932 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -112.25 112.47 24.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.4 110.917 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.7 t -169.68 172.46 6.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 72.33 110.866 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 47.0 mt -82.84 -27.92 30.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 65.51 110.912 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -61.84 -23.1 66.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 73.31 110.904 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -51.84 161.39 0.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 53.05 110.871 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.9 tpm_? -51.98 -71.96 0.06 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.254 -0.43 . . . . 64.34 110.872 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -94.65 -24.03 17.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 70.32 110.989 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.23 -85.35 0.24 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.792 -0.718 . . . . 63.2 112.504 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.2 ptmm? -51.69 -30.18 21.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.792 0.33 . . . . 73.41 110.873 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -54.61 -27.13 37.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.424 . . . . 72.24 110.856 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.3 ppt_? -52.03 -32.92 36.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 63.32 110.816 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -57.18 -33.94 67.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 75.2 110.822 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -100.6 24.42 9.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 73.24 110.902 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.46 ' O ' HD23 ' A' ' 49' ' ' LEU . 2.9 tt -104.34 -28.03 11.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 72.43 110.935 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.6 172.73 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 74.24 110.872 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -113.75 140.71 48.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 74.42 110.878 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -133.74 126.25 30.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 64.31 111.08 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.32 127.87 30.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 63.14 110.913 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.19 107.18 4.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 71.23 110.963 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 61.78 38.07 15.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 73.01 110.909 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.58 -20.2 36.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 63.13 110.878 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -77.73 -26.2 49.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 42.51 110.863 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm 58.88 42.36 19.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.907 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.64 130.71 55.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 72.23 111.087 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 74.4 110.953 -179.96 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 N-CA-C 112.465 -0.254 . . . . 33.2 112.465 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 8.4 m 52.37 33.39 12.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.379 . . . . 75.41 110.864 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -68.42 169.41 10.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 74.15 110.88 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -120.26 114.22 21.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 74.14 110.902 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.1 t -105.94 130.71 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 72.25 111.134 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.67 125.13 25.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 72.44 110.882 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.5 ttm -155.31 141.91 18.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 54.44 110.905 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.525 ' O ' HD21 ' A' ' 17' ' ' LEU . 1.6 ppt_? -59.6 135.06 57.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 73.13 110.88 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.5 ptm -174.3 -177.03 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 60.34 110.865 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.78 164.97 19.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 71.31 110.851 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -134.44 148.46 50.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 74.42 110.915 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.493 ' N ' HG22 ' A' ' 28' ' ' THR . 49.1 t -72.28 116.95 54.26 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.687 0.756 . . . . 74.01 110.861 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.82 -5.73 16.94 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.729 2.286 . . . . 64.31 112.267 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -96.69 -43.02 7.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 63.44 111.008 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.0 m -108.18 -57.24 2.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 64.15 110.813 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.44 26.22 2.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 43.24 112.467 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.471 HD12 ' N ' ' A' ' 15' ' ' TYR . 8.1 tp -92.88 132.41 37.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.799 0.333 . . . . 75.41 110.983 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.471 ' N ' HD12 ' A' ' 14' ' ' LEU . 54.0 m-85 -84.86 147.66 26.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 73.31 110.914 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.2 t -175.19 174.63 2.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 74.12 111.135 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.525 HD21 ' O ' ' A' ' 5' ' ' ARG . 4.1 mt -121.53 1.09 10.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 65.24 110.944 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -79.83 -1.82 40.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 63.23 110.881 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 63.56 9.98 4.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.236 -0.438 . . . . 72.23 110.898 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.719 HD13 ' HA ' ' A' ' 27' ' ' LYS . 27.4 mm -144.02 143.55 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 62.42 111.202 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.5 t -84.17 112.38 40.73 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.568 0.699 . . . . 73.33 110.884 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.86 -6.51 18.81 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.623 2.216 . . . . 55.2 112.333 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.56 -60.18 2.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 61.11 110.869 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.0 p -103.12 -37.71 7.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 75.32 110.914 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.19 29.18 4.64 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.783 -0.722 . . . . 30.23 112.456 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -105.27 137.4 43.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 74.12 110.885 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.719 ' HA ' HD13 ' A' ' 20' ' ' ILE . 0.1 OUTLIER -51.79 134.35 30.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.46 . . . . 74.22 110.915 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.493 HG22 ' N ' ' A' ' 9' ' ' CYS . 5.7 p -87.77 159.12 18.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 63.25 111.118 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.4 m -134.6 153.26 34.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 64.31 111.097 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 51.1 mm -61.68 112.46 6.14 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.628 0.728 . . . . 64.34 111.134 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.83 114.62 3.78 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.633 2.222 . . . . 51.42 112.304 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.6 mttt -112.93 75.49 1.98 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.554 0.693 . . . . 73.21 110.932 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 167.74 23.57 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.687 2.258 . . . . 74.43 112.362 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -41.2 4.52 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.61 2.207 . . . . 71.34 112.409 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.3 tptt 51.88 88.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 74.21 110.913 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -129.89 23.12 5.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 74.33 110.838 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 m -71.56 174.96 5.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.15 -0.477 . . . . 64.3 110.876 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.9 mt -55.22 -27.6 47.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.481 . . . . 73.34 110.947 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -52.76 -32.84 45.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 72.12 110.919 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -99.58 120.17 39.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 74.13 110.853 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 45.0 mtt85 -61.27 -70.35 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 71.3 110.924 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 10.2 m-90 -97.28 -24.02 15.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 75.43 110.879 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.57 -84.88 0.27 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.68 -0.771 . . . . 34.11 112.521 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.3 ptmm? -51.71 -32.34 29.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 71.3 110.847 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -73.96 -36.49 64.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 71.42 110.925 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -63.32 -32.24 73.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.093 -0.503 . . . . 64.13 110.841 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -60.42 -30.76 69.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 64.33 110.852 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 29.7 mmt -98.43 -29.6 13.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 72.24 110.818 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.49 ' O ' HD13 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -54.61 -31.27 56.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 54.34 110.858 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.78 164.01 13.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.169 -0.469 . . . . 74.24 110.909 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 68.5 mtt180 -56.67 168.14 0.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 73.24 110.86 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -156.05 102.2 2.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 72.34 111.108 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.9 tp -138.61 136.66 36.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.445 . . . . 65.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -55.64 121.33 8.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 74.52 110.941 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -130.51 115.55 16.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 64.44 110.897 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.77 172.52 4.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.924 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -56.47 103.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 73.13 110.928 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.2 126.78 30.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 73.12 110.94 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -113.13 127.92 56.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 71.02 111.164 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 55.22 110.886 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 N-CA-C 112.544 -0.222 . . . . 62.12 112.544 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 65.3 p -108.86 128.79 55.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.927 0.394 . . . . 72.41 110.811 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 58.23 26.67 14.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 74.52 110.826 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.0 tpp -103.69 101.49 11.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 52.12 110.921 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.1 t 51.66 58.27 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 54.34 111.093 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -93.9 -29.8 15.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 61.41 110.912 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.1 mtp -141.06 125.69 17.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 74.13 110.873 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -61.52 -19.22 61.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 74.33 110.903 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.592 ' HA ' HD23 ' A' ' 17' ' ' LEU . 4.2 ttt -51.46 158.0 0.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 74.5 110.884 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.667 ' HB3' HD13 ' A' ' 30' ' ' ILE . 8.2 ptmt -131.61 178.2 6.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 73.25 110.859 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -143.7 148.58 35.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 63.33 110.854 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.615 ' N ' HG22 ' A' ' 28' ' ' THR . 44.6 t -72.28 117.12 55.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.566 0.698 . . . . 71.13 110.882 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.546 ' HD3' HG22 ' A' ' 29' ' ' VAL . 53.9 Cg_endo -69.72 -5.89 17.26 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.676 2.251 . . . . 61.24 112.311 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.88 -41.94 8.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 74.51 110.932 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.3 m -111.4 -56.96 2.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 73.34 110.889 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.95 28.78 1.63 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.791 -0.719 . . . . 71.12 112.522 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.471 HD12 ' N ' ' A' ' 15' ' ' TYR . 7.0 tp -94.06 131.27 39.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 53.42 110.897 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.471 ' N ' HD12 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -81.52 146.17 30.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 74.34 110.931 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.477 HG22 HG21 ' A' ' 28' ' ' THR . 15.3 t -175.37 176.28 2.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 75.34 111.167 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.592 HD23 ' HA ' ' A' ' 6' ' ' MET . 2.2 mt -127.09 3.5 6.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 54.13 110.891 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.8 mtmt -82.5 0.54 42.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 75.41 110.867 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.404 ' O ' HD13 ' A' ' 20' ' ' ILE . 6.0 mt-10 62.07 11.71 4.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 73.31 110.975 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.702 HD13 ' HA ' ' A' ' 27' ' ' LYS . 30.3 mm -144.43 144.18 22.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.091 -0.504 . . . . 72.44 111.132 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.6 t -88.72 111.41 44.09 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.659 0.743 . . . . 72.32 110.86 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -6.67 19.19 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.664 2.243 . . . . 74.4 112.278 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.62 -60.9 2.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 71.51 110.89 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.9 p -101.83 -36.21 8.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 62.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.58 27.57 5.17 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.781 -0.723 . . . . 73.31 112.514 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -108.03 135.7 48.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.917 0.389 . . . . 73.12 110.882 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.702 ' HA ' HD13 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -50.52 140.09 14.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 64.41 110.95 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.615 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.2 p -89.48 158.35 17.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 54.1 111.132 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.546 HG22 ' HD3' ' A' ' 10' ' ' PRO . 15.1 m -135.75 153.63 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 65.1 111.154 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.667 HD13 ' HB3' ' A' ' 7' ' ' LYS . 29.0 mm -62.96 112.54 6.96 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.588 0.709 . . . . 61.03 111.115 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -19.45 36.27 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.708 2.272 . . . . 65.23 112.343 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.408 ' HB2' HG22 ' A' ' 30' ' ' ILE . 0.9 OUTLIER -60.2 160.55 16.55 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.53 0.681 . . . . 64.42 110.909 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.67 167.7 23.58 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.665 2.243 . . . . 65.13 112.334 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 176.46 6.81 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.584 2.189 . . . . 61.41 112.35 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -103.66 169.41 8.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 64.43 110.883 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -70.43 103.99 2.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.968 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.8 t -120.01 135.05 55.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 43.44 110.87 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.3 tp -81.67 -27.52 33.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 75.41 110.926 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -60.97 -31.28 70.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 73.11 110.892 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.41 113.8 1.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 72.32 110.842 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -62.06 -43.19 99.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 64.15 110.861 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -103.41 20.13 18.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 75.54 110.857 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.81 -31.8 79.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.781 -0.724 . . . . 41.1 112.502 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -87.75 -30.37 20.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.784 0.326 . . . . 61.14 110.87 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -52.85 -29.16 26.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 71.31 110.918 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.1 ttp85 -52.5 -34.42 49.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 53.32 110.876 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -62.22 -34.22 76.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 63.34 110.917 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.9 mmt -101.8 25.43 8.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.856 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.406 HD23 ' HD2' ' A' ' 50' ' ' LYS . 60.1 tp -66.24 -24.5 66.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 73.52 110.908 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.406 ' HD2' HD23 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -142.55 162.36 35.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 75.13 110.895 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.2 mmt85 -54.01 131.69 41.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 73.31 110.869 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -137.75 108.67 6.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 75.22 111.116 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.0 tp -115.62 128.27 55.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 71.05 110.907 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.0 pttt -121.69 119.41 31.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 73.33 110.912 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -89.99 -25.44 20.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 60.3 110.909 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.77 109.33 4.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 71.03 110.868 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -97.65 -35.07 10.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 70.54 110.856 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -53.62 -30.66 43.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 72.34 110.889 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.21 -44.53 65.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 33.03 111.105 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 71.55 110.892 -179.889 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.567 -0.213 . . . . 51.41 112.567 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 20.1 m -64.52 131.18 46.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.936 0.398 . . . . 72.12 110.853 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -91.22 -63.62 1.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 62.33 110.876 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 ttt -61.07 111.49 1.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 71.42 110.862 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.7 m -134.67 168.84 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 75.34 111.155 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.1 mp0 -133.98 148.85 51.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 75.21 110.928 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.4 ttm -163.65 165.2 23.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 72.24 110.88 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.58 -10.12 59.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 75.43 110.881 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.524 ' HA ' HD23 ' A' ' 17' ' ' LEU . 4.0 ptm -70.63 -171.3 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 74.22 110.903 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.651 ' HB3' HD13 ' A' ' 30' ' ' ILE . 7.1 ptmt -134.27 178.5 6.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 73.52 110.874 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -144.26 148.34 34.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 72.45 110.94 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.613 ' N ' HG22 ' A' ' 28' ' ' THR . 48.6 t -72.53 116.75 52.75 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.657 0.741 . . . . 72.31 110.855 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.641 ' HD3' HG22 ' A' ' 29' ' ' VAL . 53.4 Cg_endo -69.79 -5.77 17.03 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.71 2.273 . . . . 74.05 112.341 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -95.96 -43.74 7.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 75.41 110.852 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.7 m -108.62 -57.18 2.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.901 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.61 24.91 2.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.821 -0.704 . . . . 43.11 112.474 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 15' ' ' TYR . 8.7 tp -89.88 132.48 35.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 44.54 110.875 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.455 ' N ' HD12 ' A' ' 14' ' ' LEU . 33.1 m-85 -85.02 144.54 28.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 75.1 110.897 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.4 t -175.36 173.32 2.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 72.34 111.111 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.524 HD23 ' HA ' ' A' ' 6' ' ' MET . 2.4 mt -124.16 9.7 8.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 75.45 110.868 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -86.73 -0.23 55.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 71.44 110.923 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.432 ' O ' HD13 ' A' ' 20' ' ' ILE . 6.2 mt-10 62.75 11.05 4.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 63.24 110.834 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.665 HD13 ' HA ' ' A' ' 27' ' ' LYS . 29.9 mm -144.28 144.3 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 54.03 111.092 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.5 t -89.72 111.05 43.83 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.594 0.711 . . . . 73.52 110.918 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.69 -7.03 20.0 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.727 2.285 . . . . 71.13 112.386 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.28 -61.43 1.9 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 73.1 110.851 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.1 p -100.38 -35.85 9.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 51.34 110.906 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.37 29.12 4.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.721 -0.752 . . . . 53.34 112.496 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -111.21 138.29 47.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.914 0.388 . . . . 74.4 110.936 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.665 ' HA ' HD13 ' A' ' 20' ' ' ILE . 27.5 mttt -50.92 142.34 11.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 72.23 110.956 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.613 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.0 OUTLIER -91.89 158.72 16.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 75.33 111.096 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.641 HG22 ' HD3' ' A' ' 10' ' ' PRO . 16.5 m -134.64 154.91 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 74.55 111.136 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.651 HD13 ' HB3' ' A' ' 7' ' ' LYS . 29.6 mm -64.31 113.03 8.99 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.635 0.731 . . . . 63.13 111.097 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 81.91 0.79 Allowed 'Trans proline' 0 N--CA 1.464 -0.213 0 C-N-CA 122.654 2.236 . . . . 74.41 112.357 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -64.32 160.67 48.19 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.599 0.714 . . . . 65.14 110.922 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 167.76 23.59 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.732 2.288 . . . . 73.01 112.316 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -170.63 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.685 2.257 . . . . 51.11 112.325 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.3 tptt -55.55 154.09 6.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 73.34 110.902 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -115.36 28.89 8.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 72.35 110.896 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.7 -177.81 6.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 75.54 110.884 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 tp 63.61 37.51 10.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 62.31 110.92 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.78 28.0 16.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 75.53 110.876 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -52.13 170.16 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 74.33 110.848 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 68.5 mtt85 -55.18 -35.35 64.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 62.25 110.857 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -96.21 20.13 10.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.161 -0.472 . . . . 70.14 110.928 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.07 -30.86 74.72 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.737 -0.744 . . . . 55.43 112.552 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -83.94 -28.9 27.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.761 0.315 . . . . 74.11 110.867 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -60.01 -24.92 64.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 65.42 110.965 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.36 -67.78 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 73.14 110.837 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.84 -22.95 59.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 74.14 110.878 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.1 mmt -95.81 25.39 4.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 72.35 110.941 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 tt -109.67 -26.12 10.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 75.32 110.968 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.16 163.03 20.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 73.12 110.946 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.3 ptt-85 -119.02 164.39 15.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 73.32 110.929 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.11 -24.5 30.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 62.34 111.079 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 tp -51.87 128.67 24.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 64.01 110.897 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.96 129.95 44.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 61.34 110.88 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -122.87 150.3 43.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 73.33 110.882 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 133.36 50.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 62.33 110.897 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.408 HD22 ' HB2' ' A' ' 59' ' ' ALA . 1.1 p-10 -114.83 -25.83 8.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 74.14 110.862 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt 61.21 45.1 9.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 75.14 110.844 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.408 ' HB2' HD22 ' A' ' 57' ' ' ASN . . . -69.97 161.24 30.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 44.33 111.115 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 74.43 110.915 -179.925 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.435 -0.266 . . . . 72.31 112.435 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 69.5 m -154.44 136.65 14.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.942 0.401 . . . . 55.5 110.906 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -76.73 143.8 39.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 55.45 110.846 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.32 159.58 33.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 72.54 110.892 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.2 p -95.82 146.75 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 63.42 111.178 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -85.37 110.34 19.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 72.54 110.813 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.2 mmt -140.26 152.03 45.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 74.24 110.813 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.489 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -63.99 150.48 45.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.856 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.7 ttm -174.17 157.8 2.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 74.14 110.944 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.641 ' HB3' HD13 ' A' ' 30' ' ' ILE . 9.8 ptmt -128.04 175.04 8.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 73.35 110.911 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -143.79 149.3 36.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 75.11 110.912 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.541 ' N ' HG22 ' A' ' 28' ' ' THR . 46.7 t -72.46 117.37 58.37 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.564 0.697 . . . . 65.43 110.927 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.631 ' HD3' HG22 ' A' ' 29' ' ' VAL . 54.4 Cg_endo -69.78 -5.42 16.18 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.633 2.222 . . . . 72.53 112.372 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -96.71 -42.8 7.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 73.44 110.89 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.5 m -110.08 -56.74 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 74.42 110.916 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.72 31.51 1.33 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.707 -0.758 . . . . 65.33 112.423 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.458 HD12 ' N ' ' A' ' 15' ' ' TYR . 7.4 tp -96.42 130.39 43.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.873 0.368 . . . . 64.32 110.954 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.458 ' N ' HD12 ' A' ' 14' ' ' LEU . 2.5 m-85 -81.21 145.99 30.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 70.11 110.897 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.444 HG22 HG21 ' A' ' 28' ' ' THR . 15.2 t -176.05 -178.93 1.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.059 -0.518 . . . . 72.15 111.138 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.489 HD21 ' O ' ' A' ' 5' ' ' ARG . 8.7 mt -132.01 3.53 4.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 73.22 110.914 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -80.94 -0.45 39.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 75.22 110.915 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.438 ' O ' HD13 ' A' ' 20' ' ' ILE . 7.0 mt-10 63.17 10.5 4.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 74.52 110.891 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.637 HD13 ' HA ' ' A' ' 27' ' ' LYS . 28.2 mm -143.91 144.02 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 53.15 111.122 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.9 t -88.33 111.79 45.67 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.595 0.712 . . . . 55.25 110.883 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -7.04 20.01 Favored 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.702 2.268 . . . . 71.43 112.399 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -82.58 -61.71 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 74.12 110.879 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.5 p -100.56 -36.56 9.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.26 -0.427 . . . . 43.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.85 27.68 5.06 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.741 -0.742 . . . . 71.11 112.503 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -108.79 138.37 45.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.89 0.376 . . . . 75.51 110.899 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.637 ' HA ' HD13 ' A' ' 20' ' ' ILE . 10.5 mtmt -51.5 141.7 15.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 64.41 110.913 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.541 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.2 p -90.29 159.92 16.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 64.14 111.167 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.631 HG22 ' HD3' ' A' ' 10' ' ' PRO . 16.3 m -137.02 153.59 29.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 72.34 111.145 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.641 HD13 ' HB3' ' A' ' 7' ' ' LYS . 30.0 mm -64.1 113.01 8.75 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.567 0.698 . . . . 72.13 111.181 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 98.71 0.7 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.652 2.234 . . . . 74.55 112.338 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -57.0 160.49 6.02 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.588 0.709 . . . . 74.45 110.885 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 167.79 23.38 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.668 2.246 . . . . 53.13 112.304 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 126.74 13.61 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.667 2.245 . . . . 51.44 112.393 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.14 157.08 6.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 75.13 110.937 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -60.64 -55.53 32.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.424 . . . . 75.42 110.854 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 m -59.93 -38.16 81.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 70.1 110.831 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.3 mt -57.31 -28.66 63.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 70.13 110.929 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.7 tp10 -157.58 112.9 2.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 63.35 110.942 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -154.03 175.56 13.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 64.34 110.905 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -42.78 95.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 73.54 110.891 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -102.28 20.13 17.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 75.51 110.851 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.41 -28.81 29.25 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.679 -0.772 . . . . 43.05 112.464 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -85.17 -27.8 25.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.341 . . . . 73.54 110.922 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -53.59 -28.4 31.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 72.41 110.927 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -52.28 -32.81 39.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 73.34 110.822 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 43.5 mtm-85 -55.15 -33.54 63.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 75.45 110.909 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -76.43 -31.58 57.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 52.41 110.87 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.06 -74.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.421 . . . . 73.23 110.928 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -67.74 105.56 1.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.954 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -93.34 -25.45 17.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 74.41 110.878 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.72 -29.23 69.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 63.43 111.164 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.1 tp -125.42 126.13 44.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 42.51 110.93 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -131.92 134.67 45.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 73.15 110.93 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -71.46 156.33 39.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 71.55 110.941 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -93.72 143.21 26.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 73.44 110.949 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -82.62 160.27 22.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 74.11 110.904 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -64.25 -38.16 90.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 60.34 110.95 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.55 135.35 55.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 72.45 111.094 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 75.51 110.893 -179.917 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.457 -0.257 . . . . 61.4 112.457 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 31.2 t -127.44 157.37 40.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.964 0.411 . . . . 53.41 110.814 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -122.69 124.35 43.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 74.23 110.801 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.6 mtt -77.27 -32.01 55.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 72.12 110.864 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.8 m -130.3 139.99 49.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 60.43 111.156 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -115.77 142.2 47.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 55.54 110.848 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.9 tpt -151.93 116.31 5.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 65.13 110.891 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.574 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -56.55 130.66 46.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 60.15 110.882 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.3 ptm -174.33 -178.99 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 73.25 110.887 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.451 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -121.39 171.89 8.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 64.21 110.93 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -139.61 147.73 41.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 73.33 110.875 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.711 ' N ' HG22 ' A' ' 28' ' ' THR . 49.0 t -71.76 117.2 55.56 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.59 0.71 . . . . 43.14 110.884 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -5.38 16.08 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.681 2.254 . . . . 73.43 112.366 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -97.23 -43.15 7.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 63.41 110.912 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.2 m -108.26 -57.22 2.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 60.45 110.918 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.98 24.79 2.42 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 33.31 112.489 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 15' ' ' TYR . 7.7 tp -91.76 132.29 36.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 73.24 110.979 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.476 ' N ' HD12 ' A' ' 14' ' ' LEU . 57.4 m-85 -84.35 147.85 26.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 72.5 110.886 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.525 HG22 HG21 ' A' ' 28' ' ' THR . 14.3 t -175.13 175.4 2.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.039 -0.528 . . . . 72.42 111.13 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.574 HD21 ' O ' ' A' ' 5' ' ' ARG . 2.3 mt -123.8 3.64 8.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 75.1 110.893 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -82.67 -2.31 53.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 54.12 110.904 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 62.3 11.38 4.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 74.42 110.83 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.615 HD13 ' HA ' ' A' ' 27' ' ' LYS . 32.6 mm -145.07 133.64 17.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 64.14 111.118 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.9 t -74.34 114.56 34.74 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.583 0.706 . . . . 61.4 110.881 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 -7.08 20.15 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.637 2.225 . . . . 75.03 112.356 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -85.27 -60.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 75.13 110.861 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.8 p -104.16 -39.94 6.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 71.51 110.833 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.571 ' O ' HG23 ' A' ' 20' ' ' ILE . . . 124.57 -26.05 5.8 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.777 -0.725 . . . . 25.02 112.472 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -49.95 137.5 16.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.876 0.37 . . . . 75.11 110.894 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.615 ' HA ' HD13 ' A' ' 20' ' ' ILE . 12.8 mtmm -60.26 145.12 48.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 61.45 110.866 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.711 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.0 OUTLIER -91.31 147.7 22.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 74.23 111.147 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.7 m -126.65 147.76 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 73.43 111.087 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.451 HD13 ' HB3' ' A' ' 7' ' ' LYS . 44.4 mm -60.92 112.19 5.32 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 64.24 111.136 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -45.95 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.721 2.281 . . . . 73.11 112.319 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.0 pttp -131.99 153.66 81.45 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.577 0.703 . . . . 75.43 110.939 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 167.75 23.51 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.702 2.268 . . . . 71.53 112.414 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -174.41 0.92 Allowed 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.714 2.276 . . . . 40.14 112.33 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -82.2 -45.91 14.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 54.24 110.954 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -119.06 104.8 10.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 75.42 110.893 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.9 t -91.41 -42.5 10.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 72.0 110.863 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 tp -58.9 -21.77 58.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 74.3 110.944 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -99.9 -25.34 14.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 74.13 110.882 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -52.06 103.45 0.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 63.33 110.83 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -63.11 -25.43 68.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 75.11 110.881 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.7 m0 -94.29 20.02 8.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.224 -0.444 . . . . 71.32 110.916 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.37 -30.85 49.97 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.688 -0.767 . . . . 64.33 112.572 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -80.42 -28.56 37.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.744 0.307 . . . . 72.34 110.871 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -57.22 -24.25 53.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.268 -0.424 . . . . 63.12 110.874 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -52.02 -68.73 0.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 72.2 110.8 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.6 ptp85 -53.49 -41.62 66.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 74.2 110.908 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.4 mmt -57.4 -23.8 51.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 64.54 110.861 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.629 ' O ' HD23 ' A' ' 49' ' ' LEU . 3.4 tt -70.69 -23.36 62.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.956 0.408 . . . . 72.21 110.935 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -76.84 152.57 35.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 73.12 110.902 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -108.95 33.82 4.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.816 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -167.21 89.33 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 62.42 111.113 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.0 140.32 30.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 51.31 110.944 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -100.05 26.58 6.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 60.45 110.901 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 52.51 33.07 12.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 72.55 110.857 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -61.73 131.26 49.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 73.12 110.838 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -135.64 144.74 46.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 62.21 110.879 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm 53.42 43.54 31.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 51.44 110.87 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -100.14 142.09 32.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 62.23 111.117 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 74.33 110.914 -179.923 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.423 -0.271 . . . . 51.35 112.423 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 25.3 p -149.97 151.74 33.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 72.02 110.851 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -93.74 178.13 5.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 74.13 110.851 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.4 mtp -87.68 127.69 35.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 62.14 110.833 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.7 m -81.66 156.15 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 63.14 111.129 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -89.32 -29.91 18.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 65.33 110.928 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.77 137.09 38.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 51.12 110.855 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.412 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -51.78 155.58 1.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 75.21 110.864 -179.89 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.5 ptm -174.51 -172.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 73.01 110.855 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.401 ' HB3' HD13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -122.48 168.67 11.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 60.42 110.866 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -138.23 148.86 45.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 72.32 110.906 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.736 ' N ' HG22 ' A' ' 28' ' ' THR . 48.8 t -72.1 116.58 50.11 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.608 0.718 . . . . 73.41 110.865 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -5.24 15.72 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.681 2.254 . . . . 74.25 112.328 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -96.59 -44.67 7.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 64.23 110.883 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.3 m -107.29 -56.74 2.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.252 -0.431 . . . . 64.43 110.904 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.36 27.13 2.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.699 -0.762 . . . . 65.31 112.508 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 15' ' ' TYR . 7.8 tp -92.33 132.77 36.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.836 0.35 . . . . 72.4 110.919 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.481 ' N ' HD12 ' A' ' 14' ' ' LEU . 34.4 m-85 -83.87 145.65 28.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 74.43 110.938 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.478 HG22 HG21 ' A' ' 28' ' ' THR . 15.1 t -175.23 176.52 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.5 . . . . 61.22 111.176 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.412 HD21 ' O ' ' A' ' 5' ' ' ARG . 7.9 mt -126.33 3.42 7.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 61.42 110.898 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -81.13 -2.12 47.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 71.23 110.876 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 62.42 11.11 4.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 62.31 110.892 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.614 HD13 ' HA ' ' A' ' 27' ' ' LYS . 32.6 mm -145.15 133.47 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 73.14 111.184 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.7 t -74.52 114.84 37.85 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.643 0.735 . . . . 73.33 110.83 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.45 ' HD2' HD23 ' A' ' 14' ' ' LEU . 54.4 Cg_endo -69.72 -6.96 19.82 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.649 2.233 . . . . 73.32 112.364 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.03 -60.32 2.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 74.41 110.905 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.2 p -104.82 -39.93 6.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 63.21 110.911 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.564 ' O ' HG23 ' A' ' 20' ' ' ILE . . . 124.08 -26.76 5.78 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.794 -0.717 . . . . 74.12 112.469 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -49.14 133.65 18.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.943 0.401 . . . . 75.53 110.916 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.614 ' HA ' HD13 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -57.12 145.37 31.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 71.34 110.874 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.736 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.0 OUTLIER -91.75 150.2 21.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 43.13 111.05 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.9 m -129.16 149.72 33.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 64.12 111.081 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.548 HG22 ' H ' ' A' ' 32' ' ' LYS . 45.4 mm -61.25 112.17 5.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.594 0.712 . . . . 64.14 111.066 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -8.75 24.4 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.657 2.238 . . . . 71.45 112.377 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.548 ' H ' HG22 ' A' ' 30' ' ' ILE . 23.9 mtmt -125.64 75.88 69.99 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.578 0.704 . . . . 75.53 110.894 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 167.5 24.2 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.67 2.247 . . . . 61.41 112.435 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -172.77 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.681 2.254 . . . . 73.51 112.343 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.93 147.16 35.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 73.22 110.92 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -70.39 -33.69 71.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.32 110.828 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.28 155.26 25.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.482 . . . . 73.02 110.896 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.5 mt -68.4 -34.31 75.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 71.15 110.874 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -146.55 106.98 4.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 75.41 110.914 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -105.7 146.53 29.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 74.51 110.806 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -62.52 -64.7 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 72.13 110.825 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -104.79 -23.55 13.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 75.52 110.839 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.52 -84.79 0.26 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.786 -0.721 . . . . 62.44 112.488 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.8 pttt -52.34 -29.82 25.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.351 . . . . 74.3 110.904 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -57.34 -28.22 62.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 70.41 110.922 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -52.03 -42.81 63.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 73.53 110.871 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -67.11 -42.59 84.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 74.22 110.874 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -23.3 67.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 72.54 110.861 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.521 ' O ' HD23 ' A' ' 49' ' ' LEU . 4.8 tt -52.64 -29.04 24.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.929 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.81 125.75 15.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 73.35 110.887 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -124.64 170.94 10.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 64.41 110.896 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.9 -32.09 27.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 72.04 111.113 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.03 115.35 19.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.43 . . . . 74.15 110.916 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.79 125.11 48.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 73.54 110.898 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -54.9 150.55 9.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 63.34 110.937 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -59.82 160.46 7.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 73.35 110.865 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -101.0 118.62 37.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 75.23 110.878 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.6 tptm -147.72 126.46 12.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 70.21 110.875 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.64 138.42 34.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 71.45 111.133 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 73.35 110.955 -179.951 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.521 -0.232 . . . . 62.14 112.521 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.3 m -85.08 143.92 28.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.962 0.41 . . . . 71.01 110.846 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 30.1 m80 -129.88 168.78 16.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 71.42 110.806 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ptm -55.55 143.3 30.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 63.52 110.841 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.6 p -151.62 135.62 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 61.34 111.155 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -83.23 111.97 19.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 72.23 110.924 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.16 159.24 31.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.855 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.78 -15.31 61.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 72.32 110.864 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.576 ' HA ' HD23 ' A' ' 17' ' ' LEU . 2.7 ttt -51.46 138.76 21.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 62.12 110.898 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.24 177.1 4.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 62.32 110.872 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -136.88 145.59 44.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 63.43 110.912 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.666 ' N ' HG22 ' A' ' 28' ' ' THR . 45.8 t -72.12 116.7 51.34 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-O 121.618 0.723 . . . . 44.32 110.875 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.478 ' HD3' HG22 ' A' ' 29' ' ' VAL . 53.5 Cg_endo -69.72 -5.41 16.13 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.765 2.31 . . . . 73.45 112.284 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -96.58 -41.93 8.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 71.32 110.92 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.2 m -111.61 -57.07 2.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 74.52 110.869 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.93 26.86 2.0 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 52.23 112.41 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.484 HD12 ' N ' ' A' ' 15' ' ' TYR . 8.3 tp -91.58 134.97 34.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 73.31 110.901 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.484 ' N ' HD12 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -85.27 144.14 28.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 71.13 110.973 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.494 HG22 HG21 ' A' ' 28' ' ' THR . 13.2 t -175.25 170.4 3.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 64.54 111.16 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.576 HD23 ' HA ' ' A' ' 6' ' ' MET . 1.4 mt -120.04 2.18 10.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 72.4 110.92 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -78.86 -3.17 43.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.93 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 63.9 9.64 4.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 63.13 110.808 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.599 HD13 ' HA ' ' A' ' 27' ' ' LYS . 26.9 mm -144.1 137.07 23.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 73.24 111.136 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.2 t -78.29 114.02 39.01 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.662 0.744 . . . . 72.04 110.879 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.439 ' HD2' HD23 ' A' ' 14' ' ' LEU . 53.6 Cg_endo -69.74 -6.74 19.3 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.727 2.284 . . . . 74.21 112.361 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.23 -60.31 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 75.02 110.975 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.7 p -103.37 -39.38 6.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 64.15 110.893 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.532 ' O ' HG23 ' A' ' 20' ' ' ILE . . . 123.1 -25.94 6.25 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 73.31 112.547 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -51.34 142.72 12.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.953 0.406 . . . . 74.22 110.855 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.599 ' HA ' HD13 ' A' ' 20' ' ' ILE . 12.3 mtmt -65.61 144.46 56.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 75.11 110.88 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.666 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.1 p -87.48 151.31 23.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.277 -0.42 . . . . 74.32 111.133 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.478 HG22 ' HD3' ' A' ' 10' ' ' PRO . 13.7 m -131.18 159.91 42.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 71.04 111.146 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 32.9 mm -62.96 113.12 8.24 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.664 0.745 . . . . 65.12 111.165 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -48.9 0.62 Allowed 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.631 2.22 . . . . 62.55 112.332 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -128.26 157.46 74.34 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.634 0.731 . . . . 63.44 110.882 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 167.28 24.89 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.737 2.291 . . . . 73.03 112.332 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 126.27 13.11 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.655 2.237 . . . . 64.23 112.275 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.75 122.01 24.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 72.31 110.896 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -160.48 105.24 1.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 70.51 110.838 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.3 p -156.19 107.69 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 71.55 110.843 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.539 ' O ' HD23 ' A' ' 38' ' ' LEU . 4.3 tt -90.99 -29.09 17.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 71.43 110.931 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -80.91 -24.08 38.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 75.35 110.902 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -59.47 97.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 72.5 110.881 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -67.42 -42.65 82.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 73.55 110.854 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -104.97 -24.13 12.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.151 -0.477 . . . . 73.42 110.968 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.34 -85.28 0.25 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 71.34 112.509 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -51.87 -30.21 22.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.776 0.322 . . . . 74.35 110.867 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -52.63 -35.2 54.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 71.52 110.898 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.612 ' O ' HD23 ' A' ' 49' ' ' LEU . 0.5 OUTLIER -59.24 -44.51 92.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 42.14 110.859 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -38.99 70.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 73.13 110.826 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.1 tpt -111.52 35.54 3.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 73.01 110.936 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 46' ' ' ARG . 1.6 pp -75.81 -17.01 60.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 43.32 110.945 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -88.81 168.36 12.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 74.33 110.86 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.0 mmt85 -113.03 -27.17 8.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 72.01 110.873 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.6 119.69 39.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 72.42 111.088 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.3 tp -157.52 134.03 9.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 73.41 110.946 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.84 -28.62 10.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 73.41 110.964 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -80.69 108.78 14.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 64.44 110.868 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.2 ptpp? -100.37 152.92 19.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 71.23 110.904 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -157.22 107.59 2.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 64.4 110.894 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.56 -46.33 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 63.34 110.885 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -139.15 158.62 43.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 34.5 111.11 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 74.22 110.906 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 N-CA-C 112.54 -0.224 . . . . 71.15 112.54 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . 0.594 ' HB2' HG22 ' A' ' 2' ' ' VAL . 4.2 m -117.72 167.39 11.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.938 0.399 . . . . 73.04 110.85 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -84.74 -35.94 22.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 74.34 110.903 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt -60.9 -31.93 71.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 73.12 110.852 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.594 HG22 ' HB2' ' A' ' -1' ' ' SER . 11.4 m -112.09 158.03 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 72.0 111.109 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -139.11 148.87 43.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 74.51 110.913 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 7.6 mtt -94.18 164.03 13.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 73.02 110.895 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.651 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -68.82 121.28 16.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 73.33 110.853 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 77.6 mtp -153.72 155.66 36.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 61.32 110.895 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.12 171.82 7.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 72.11 110.864 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -147.39 148.41 31.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 63.33 110.922 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.8 t -72.57 118.31 66.66 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.663 0.744 . . . . 70.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.62 ' HD3' HG22 ' A' ' 29' ' ' VAL . 53.7 Cg_endo -69.84 -5.65 16.77 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.629 2.219 . . . . 72.11 112.361 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.42 -46.9 5.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 64.3 110.842 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.2 m -102.98 -56.38 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 61.42 110.864 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 117.01 30.03 2.04 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 75.33 112.49 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 15' ' ' TYR . 6.0 tp -95.66 131.7 41.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.836 0.351 . . . . 71.12 110.892 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.455 ' N ' HD12 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -81.61 149.81 28.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 43.22 110.941 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -175.92 -179.3 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 62.34 111.157 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.651 HD21 ' O ' ' A' ' 5' ' ' ARG . 6.2 mt -131.92 3.32 4.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 53.31 111.005 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -84.51 2.37 41.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 74.33 110.846 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.454 ' O ' HD13 ' A' ' 20' ' ' ILE . 2.3 mt-10 60.67 13.36 4.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 74.23 110.842 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.749 HD13 ' HA ' ' A' ' 27' ' ' LYS . 30.0 mm -143.74 145.72 21.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 74.4 111.117 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.2 t -90.34 113.43 57.45 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 63.35 110.871 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -8.25 23.12 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.697 2.265 . . . . 71.43 112.364 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -80.84 -60.41 2.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 73.24 110.895 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.5 p -100.96 -40.89 7.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 73.53 110.938 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.43 52.12 0.78 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.67 -0.776 . . . . 74.44 112.417 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.53 151.05 52.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.903 0.382 . . . . 72.45 110.837 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.749 ' HA ' HD13 ' A' ' 20' ' ' ILE . 20.6 ttpp -60.25 122.08 13.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 73.33 110.915 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 p -73.82 164.33 26.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 74.31 111.131 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.62 HG22 ' HD3' ' A' ' 10' ' ' PRO . 14.4 m -136.08 154.95 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 71.13 111.179 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.9 mm -65.94 113.27 11.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.586 0.708 . . . . 70.52 111.131 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -49.32 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 2.239 . . . . 72.22 112.402 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -126.68 160.0 60.87 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.58 0.705 . . . . 72.24 110.847 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 167.68 23.62 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.701 2.267 . . . . 72.22 112.327 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.79 -41.23 4.41 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.678 2.252 . . . . 74.13 112.386 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.45 151.05 33.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 54.33 110.959 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.509 ' HB3' HD23 ' A' ' 38' ' ' LEU . 95.3 m-85 -55.62 -73.0 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 75.52 110.924 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.75 40.95 15.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 72.42 110.852 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.509 HD23 ' HB3' ' A' ' 36' ' ' PHE . 4.2 mm? -81.01 -25.56 37.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 73.43 110.889 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -101.98 -24.52 13.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 73.32 110.944 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -51.87 138.08 24.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 73.54 110.824 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -59.2 -35.97 74.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 74.12 110.837 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -94.32 20.08 8.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 75.25 110.94 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.98 -30.8 38.39 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.758 -0.734 . . . . 72.43 112.421 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -87.54 -25.18 23.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.791 0.329 . . . . 72.02 110.893 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -53.87 -27.93 33.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 65.05 110.953 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 60.4 ttt-85 -58.67 -36.29 73.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 61.32 110.921 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -62.7 -33.05 74.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 72.4 110.872 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.7 mmt -84.35 -24.53 29.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 62.1 110.92 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.4 tt -51.97 -67.6 0.24 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 64.54 110.908 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -73.39 125.51 28.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 73.33 110.914 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -100.93 171.91 7.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.299 -0.409 . . . . 65.5 110.881 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 64.02 36.52 9.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 72.12 111.09 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.77 -31.01 59.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 74.42 110.867 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -84.57 124.58 31.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 74.44 110.91 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -161.76 161.91 29.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.436 . . . . 73.44 110.946 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -60.04 170.03 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 65.41 110.932 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.0 p30 -136.89 165.81 25.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 75.21 110.882 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -62.2 154.73 26.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 71.52 110.881 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.37 -38.05 71.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 71.31 111.137 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 64.11 110.84 -179.868 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.542 -0.223 . . . . 61.3 112.542 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.8 m -139.89 136.58 34.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 75.32 110.851 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -53.47 -39.98 64.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 75.51 110.847 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.5 ttt -83.83 151.63 25.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 72.1 110.893 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.2 p -61.03 144.74 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 74.41 111.187 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -86.05 110.43 19.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 70.44 110.894 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.55 -28.72 24.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 71.53 110.87 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.89 160.02 2.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.819 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.2 ptm -174.18 -169.5 0.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 71.54 110.891 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.656 ' HB3' HD13 ' A' ' 30' ' ' ILE . 7.4 ptmt -128.33 170.62 12.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 63.44 110.918 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.1 ttpt -140.01 149.58 43.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 73.4 110.859 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.666 ' N ' HG22 ' A' ' 28' ' ' THR . 46.4 t -72.46 116.48 49.84 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 54.21 110.855 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.459 ' HD3' HG22 ' A' ' 29' ' ' VAL . 53.3 Cg_endo -69.79 -5.59 16.58 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.657 2.238 . . . . 54.1 112.339 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.21 -45.43 7.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 65.22 110.872 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.3 m -107.73 -56.33 2.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 64.55 110.882 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.63 29.17 1.61 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.76 -0.733 . . . . 52.52 112.493 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' ' 15' ' ' TYR . 8.1 tp -93.77 132.09 38.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.363 . . . . 64.05 110.94 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.456 ' N ' HD12 ' A' ' 14' ' ' LEU . 30.2 m-85 -83.4 144.57 29.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 72.2 110.914 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.438 HG22 HG21 ' A' ' 28' ' ' THR . 15.2 t -175.36 179.58 1.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 61.35 111.166 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.8 mt -129.86 3.2 4.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 74.43 110.94 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -79.02 -3.26 44.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 73.42 110.931 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 64.39 8.96 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 75.43 110.884 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.633 HD13 ' HA ' ' A' ' 27' ' ' LYS . 31.9 mm -144.95 133.95 17.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 71.35 111.163 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.1 t -75.21 114.3 34.03 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.684 0.754 . . . . 75.15 110.846 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.438 ' HD2' HD23 ' A' ' 14' ' ' LEU . 52.8 Cg_endo -69.75 -6.52 18.79 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.707 2.272 . . . . 50.2 112.292 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.64 -60.82 1.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 74.23 110.916 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.9 p -102.55 -38.83 7.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 63.35 110.906 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.568 ' O ' HG23 ' A' ' 20' ' ' ILE . . . 122.42 -26.8 6.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.757 . . . . 73.12 112.509 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -50.83 142.8 10.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.967 0.413 . . . . 73.2 110.929 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.633 ' HA ' HD13 ' A' ' 20' ' ' ILE . 9.8 mtmm -64.5 145.07 56.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 55.01 110.887 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.666 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.0 OUTLIER -89.32 155.21 19.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 54.34 111.102 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.459 HG22 ' HD3' ' A' ' 10' ' ' PRO . 11.5 m -133.02 150.75 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 75.25 111.178 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.656 HD13 ' HB3' ' A' ' 7' ' ' LYS . 33.2 mm -62.95 112.58 7.04 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.564 0.697 . . . . 73.0 111.097 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 111.43 2.81 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.674 2.25 . . . . 64.31 112.381 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.07 159.87 5.3 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.546 0.688 . . . . 63.4 110.96 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 167.72 23.58 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.611 2.207 . . . . 75.22 112.373 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -42.94 2.97 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 55.11 112.321 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.03 -170.08 2.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.29 -0.414 . . . . 73.1 110.904 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -53.57 -29.29 36.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 53.4 110.919 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 m -101.76 175.44 5.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 53.05 110.858 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.6 mt -80.49 -36.05 33.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.066 -0.516 . . . . 74.01 110.879 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -146.47 118.43 8.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 72.01 110.873 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.8 p30 -111.96 21.98 15.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 75.21 110.869 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.4 mmp_? -68.0 -67.77 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 75.43 110.909 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -104.16 -21.4 13.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 72.14 110.892 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.47 -85.54 0.26 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.687 -0.768 . . . . 62.44 112.529 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -52.11 -29.8 23.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.782 0.325 . . . . 71.42 110.947 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -56.92 -29.53 63.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 75.32 110.893 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -51.91 -31.8 30.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.917 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.3 ttm-85 -51.51 -68.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 43.42 110.899 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -54.03 -27.58 32.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 71.22 110.908 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.576 HD12 ' HB2' ' A' ' 51' ' ' ARG . 0.3 OUTLIER -64.11 -31.47 72.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.235 -0.439 . . . . 72.31 110.951 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm 52.04 43.64 30.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 63.25 110.925 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.576 ' HB2' HD12 ' A' ' 49' ' ' LEU . 4.8 tpt180 -81.15 130.29 34.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 71.23 110.854 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 60.05 34.77 21.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 73.01 111.121 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.01 -32.41 24.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 70.32 110.919 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -103.8 -31.88 9.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 71.33 110.87 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -108.2 172.26 6.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 73.05 110.876 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.55 114.34 16.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 64.31 110.907 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -91.84 110.56 21.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 71.1 110.835 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -140.34 142.18 35.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 71.4 110.865 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.56 -41.83 75.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 71.32 111.071 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 74.44 110.85 -179.864 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.482 -0.247 . . . . 64.35 112.482 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 38.6 t -86.83 -15.62 38.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.912 0.387 . . . . 61.14 110.812 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -51.76 -42.46 62.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 75.12 110.934 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mtm -70.55 125.34 26.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 72.35 110.959 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 20.0 t -98.87 143.54 13.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 62.02 111.116 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -94.45 113.06 24.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 75.13 110.894 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -51.99 143.62 13.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 72.03 110.871 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.84 155.69 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 70.3 110.864 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.3 ptm -174.56 -169.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 64.02 110.867 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.596 ' HB3' HD13 ' A' ' 30' ' ' ILE . 9.0 ptmt -127.72 175.46 8.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 73.23 110.902 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -144.88 149.2 34.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 74.52 110.882 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.536 ' N ' HG22 ' A' ' 28' ' ' THR . 48.9 t -72.39 116.59 50.8 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.635 0.731 . . . . 73.41 110.933 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.647 ' HD3' HG22 ' A' ' 29' ' ' VAL . 54.0 Cg_endo -69.82 -6.02 17.63 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.708 2.272 . . . . 71.41 112.295 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -95.47 -44.58 7.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 73.54 110.915 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.0 m -107.89 -57.01 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 73.43 110.857 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.16 28.23 1.7 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 32.21 112.407 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 15' ' ' TYR . 8.8 tp -92.69 131.19 37.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.806 0.336 . . . . 73.34 110.919 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.44 ' N ' HD12 ' A' ' 14' ' ' LEU . 34.9 m-85 -83.73 144.39 29.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 75.42 110.901 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.427 HG22 HG21 ' A' ' 28' ' ' THR . 15.3 t -175.27 -179.56 1.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.069 -0.514 . . . . 62.43 111.116 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 mt -131.04 4.06 4.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 61.41 110.92 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt -80.52 -0.47 37.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 61.44 110.919 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.439 ' O ' HD13 ' A' ' 20' ' ' ILE . 6.0 mt-10 63.57 10.22 4.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 61.03 110.835 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.632 HD13 ' HA ' ' A' ' 27' ' ' LYS . 28.1 mm -143.96 145.2 22.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 73.04 111.12 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.6 t -90.31 111.17 45.61 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.648 0.737 . . . . 61.24 110.923 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -6.71 19.22 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 73.21 112.393 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.76 -60.21 2.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.892 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.7 p -101.92 -36.15 8.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 70.41 110.918 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.09 28.4 4.97 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.708 -0.758 . . . . 51.01 112.482 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -110.3 137.67 47.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.015 0.436 . . . . 65.21 110.852 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.632 ' HA ' HD13 ' A' ' 20' ' ' ILE . 13.8 mttm -50.62 142.17 11.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 74.53 110.879 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.536 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.2 p -90.68 159.11 16.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 74.54 111.134 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.647 HG22 ' HD3' ' A' ' 10' ' ' PRO . 13.2 m -136.46 153.79 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 64.32 111.099 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.596 HD13 ' HB3' ' A' ' 7' ' ' LYS . 33.4 mm -63.63 113.07 8.6 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.697 0.761 . . . . 72.31 111.081 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 105.75 1.54 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.243 . . . . 55.05 112.336 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.63 160.57 9.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.597 0.713 . . . . 54.12 110.912 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 167.63 23.82 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.654 2.236 . . . . 74.41 112.364 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.81 177.62 5.43 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.694 2.262 . . . . 62.43 112.282 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.03 121.2 39.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 73.35 110.922 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -147.62 103.84 3.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 74.34 110.834 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 t -163.54 174.71 11.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 75.23 110.827 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.3 tt -108.54 -31.18 7.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 51.34 110.89 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -64.71 -32.93 74.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 73.11 110.86 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -89.77 103.48 16.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 70.32 110.882 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.66 -74.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 54.32 110.826 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -97.6 19.41 13.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 72.33 110.855 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.9 -30.85 54.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.681 -0.771 . . . . 43.12 112.489 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -64.95 -19.17 65.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.741 0.305 . . . . 71.55 110.885 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -53.23 -33.29 52.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 75.13 110.953 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.1 ttm180 -56.07 -24.8 42.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 73.1 110.862 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -87.17 -41.47 13.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 55.42 110.876 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.1 mmt -101.46 35.1 2.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 63.34 110.927 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -64.57 -26.61 68.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 72.32 110.934 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -91.82 135.92 33.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 70.15 110.882 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.6 mmm-85 -101.83 30.49 4.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 73.44 110.954 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.54 -47.5 13.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 63.2 111.107 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.7 tp -85.51 137.67 32.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 73.22 110.943 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -121.39 138.49 54.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 75.32 110.852 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -80.5 112.63 18.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 64.21 110.9 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.43 -18.69 15.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 65.21 110.81 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -90.72 156.03 18.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 71.4 110.854 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -112.46 118.02 34.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 64.53 110.958 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -116.39 150.72 37.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 73.43 111.073 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.292 -0.413 . . . . 74.15 110.962 -179.963 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.512 -0.235 . . . . 72.35 112.512 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 20.9 t -98.34 127.45 44.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.94 0.4 . . . . 54.2 110.836 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . 0.401 ' O ' HG13 ' A' ' 2' ' ' VAL . 42.4 t60 -115.04 -25.47 8.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 73.05 110.795 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.4 tpp -52.36 121.24 6.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 71.14 110.911 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 0' ' ' HIS . 16.3 m -129.63 144.69 37.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 51.13 111.143 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 54.28 36.45 25.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 75.23 110.957 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.45 177.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 74.32 110.862 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.425 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -170.77 158.79 6.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 63.25 110.88 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.7 ptm -174.4 -170.93 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 45.51 110.823 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.519 ' HB3' HD13 ' A' ' 30' ' ' ILE . 4.4 ptmt -127.65 177.25 6.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 65.52 110.876 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -145.92 148.85 33.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 63.52 110.957 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.583 ' N ' HG22 ' A' ' 28' ' ' THR . 49.3 t -72.19 116.78 52.37 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.564 0.697 . . . . 71.42 110.904 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.5 ' HD3' HG22 ' A' ' 29' ' ' VAL . 54.1 Cg_endo -69.71 -6.0 17.53 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.789 2.326 . . . . 74.13 112.318 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.89 -45.16 7.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 63.23 110.862 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.6 m -106.59 -56.59 2.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 73.1 110.876 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.77 29.58 1.67 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.713 -0.756 . . . . 65.23 112.513 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 15' ' ' TYR . 7.5 tp -95.76 131.17 42.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.795 0.331 . . . . 70.14 111.004 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.463 ' N ' HD12 ' A' ' 14' ' ' LEU . 46.5 m-85 -82.88 146.22 29.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 75.01 110.9 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -174.48 -179.37 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 44.21 111.186 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.425 HD21 ' O ' ' A' ' 5' ' ' ARG . 8.0 mt -129.98 2.68 4.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 72.1 110.894 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -80.14 -1.5 40.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 75.24 110.818 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 65.05 7.99 4.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 74.13 110.925 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.731 HD13 ' HA ' ' A' ' 27' ' ' LYS . 27.4 mm -144.13 143.37 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.25 111.19 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.7 t -82.9 112.8 40.87 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.646 0.736 . . . . 65.2 110.898 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -5.32 15.95 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.713 2.275 . . . . 72.45 112.362 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.74 -61.44 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 44.44 110.914 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.5 p -99.8 -36.66 9.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 71.15 110.908 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.99 30.37 5.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 54.52 112.489 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -108.29 139.47 42.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.003 0.43 . . . . 64.01 110.856 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.731 ' HA ' HD13 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -50.62 137.03 20.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 73.54 110.965 179.866 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.583 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.2 p -90.68 161.36 15.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 61.31 111.092 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.5 HG22 ' HD3' ' A' ' 10' ' ' PRO . 17.6 m -138.94 154.3 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 54.32 111.138 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.519 HD13 ' HB3' ' A' ' 7' ' ' LYS . 33.0 mm -63.5 112.8 7.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.649 0.738 . . . . 74.2 111.177 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 118.86 5.93 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.705 2.27 . . . . 63.2 112.285 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -130.18 75.61 79.06 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.594 0.711 . . . . 74.21 110.926 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 167.71 23.69 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.634 2.223 . . . . 63.43 112.388 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -179.08 2.67 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.687 2.258 . . . . 63.11 112.39 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.88 127.34 31.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 74.52 110.905 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -58.19 101.45 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 64.05 110.893 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -127.44 109.81 12.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 75.42 110.851 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.41 -28.84 68.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 73.22 110.935 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -109.18 -33.36 6.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 73.42 110.854 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 t0 53.22 40.65 31.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 74.33 110.905 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -60.09 -43.4 95.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 73.41 110.89 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 21.2 m95 -104.15 20.1 18.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.187 -0.461 . . . . 74.32 110.923 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.03 -30.39 30.43 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.825 -0.702 . . . . 73.52 112.456 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.8 mtmt -88.06 -29.49 20.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 72.33 110.924 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -52.42 -31.22 33.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 62.24 110.933 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -57.89 -65.75 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 74.12 110.934 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -55.01 -39.22 68.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 72.21 110.841 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 16.1 mmt -62.79 -25.23 68.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 73.45 110.783 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.417 ' O ' HD23 ' A' ' 49' ' ' LEU . 1.4 tt -81.3 -20.72 40.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.437 . . . . 70.05 110.907 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.31 104.73 6.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 70.14 110.941 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.2 ptt-85 -113.08 -26.79 8.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 63.01 110.897 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -92.61 -58.26 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 73.41 111.141 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.7 tp -71.09 119.25 14.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.481 . . . . 71.13 110.888 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -122.69 137.02 55.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 74.03 110.911 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -86.56 116.66 24.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 74.33 110.865 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -85.96 167.03 15.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 73.54 110.854 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -89.62 117.24 28.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 73.31 110.83 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -88.12 175.02 7.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 72.42 110.881 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.71 -61.03 2.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 55.23 111.123 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 70.34 110.936 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.501 -0.24 . . . . 55.34 112.501 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 5.2 t -165.48 156.96 14.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.924 0.392 . . . . 31.44 110.823 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -87.16 111.77 21.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.065 -0.516 . . . . 71.42 110.801 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 mmt -86.65 -26.86 24.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 65.43 110.862 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.835 HG22 ' HG3' ' A' ' 3' ' ' GLU . 14.9 p -70.11 132.8 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 72.25 111.109 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.835 ' HG3' HG22 ' A' ' 2' ' ' VAL . 19.4 mt-10 51.97 57.41 6.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.911 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.5 ttt -128.19 126.18 40.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 73.52 110.928 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.447 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -57.11 157.52 5.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 70.33 110.904 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.456 ' HE3' HD11 ' A' ' 17' ' ' LEU . 9.0 ttm -175.22 159.13 2.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 75.13 110.865 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.511 ' HB3' HD13 ' A' ' 30' ' ' ILE . 7.5 ptmt -128.92 173.24 10.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 63.1 110.907 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -143.47 149.27 37.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.277 -0.419 . . . . 74.34 110.86 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.631 ' N ' HG22 ' A' ' 28' ' ' THR . 47.6 t -72.02 117.15 55.59 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.623 0.725 . . . . 74.52 110.912 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.538 ' HD3' HG22 ' A' ' 29' ' ' VAL . 53.6 Cg_endo -69.77 -5.78 17.02 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.72 2.28 . . . . 71.45 112.322 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.65 -44.84 7.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 73.2 110.882 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.0 m -108.43 -56.07 2.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 74.13 110.949 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 118.89 34.73 1.02 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 25.2 112.495 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.432 HD23 ' HD2' ' A' ' 22' ' ' PRO . 8.5 tp -98.36 129.52 45.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 74.22 110.91 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.431 ' N ' HD12 ' A' ' 14' ' ' LEU . 3.1 m-85 -81.88 144.89 30.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 75.03 110.929 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -176.02 -179.77 1.19 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.479 . . . . 72.32 111.16 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.456 HD11 ' HE3' ' A' ' 6' ' ' MET . 1.4 mt -128.55 0.49 5.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 72.5 110.924 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -77.42 -3.3 39.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 71.13 110.891 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 64.92 8.32 4.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.243 -0.435 . . . . 74.41 110.888 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.444 HD13 ' HA ' ' A' ' 27' ' ' LYS . 13.0 mm -141.03 143.39 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 61.1 111.153 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.9 t -87.6 111.39 41.51 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.65 0.738 . . . . 72.21 110.888 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.432 ' HD2' HD23 ' A' ' 14' ' ' LEU . 53.5 Cg_endo -69.7 -6.67 19.12 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 61.22 112.337 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.79 -59.34 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.428 . . . . 75.54 110.886 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.5 p -104.2 -36.78 7.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 45.05 110.849 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.99 28.75 4.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.726 . . . . 72.22 112.526 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -107.98 139.61 42.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 70.44 110.924 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.444 ' HA ' HD13 ' A' ' 20' ' ' ILE . 1.1 mptp? -52.08 139.76 22.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 71.43 110.964 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.631 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.1 p -91.14 154.88 19.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.25 -0.432 . . . . 71.11 111.134 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.538 HG22 ' HD3' ' A' ' 10' ' ' PRO . 17.4 m -132.85 154.27 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 71.52 111.212 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.526 HG22 ' H ' ' A' ' 32' ' ' LYS . 33.7 mm -62.8 112.31 6.46 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.572 0.701 . . . . 64.42 111.148 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -9.97 27.43 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.635 2.223 . . . . 61.21 112.367 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.526 ' H ' HG22 ' A' ' 30' ' ' ILE . 2.8 mmpt? -93.83 158.84 35.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.552 0.691 . . . . 71.23 110.866 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 167.86 23.26 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.632 2.221 . . . . 32.34 112.317 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -41.1 4.47 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 72.44 112.327 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -56.42 -30.42 62.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 63.54 110.927 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -52.59 102.84 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 74.24 110.911 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -148.1 167.83 23.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 64.25 110.85 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.432 ' H ' HD23 ' A' ' 38' ' ' LEU . 1.9 pt? -54.59 -27.16 37.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 71.45 110.892 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -132.27 138.01 47.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 73.31 110.961 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -139.05 125.59 20.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.475 . . . . 64.03 110.861 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -60.38 -28.36 68.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 75.51 110.924 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 23.0 m95 -99.45 20.03 14.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 74.42 110.937 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.28 -31.98 35.84 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.737 . . . . 74.22 112.539 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -88.04 -26.01 22.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 70.32 110.887 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -54.59 -27.07 36.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 54.2 110.951 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.1 tpp85 -52.14 -30.12 25.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.076 -0.511 . . . . 75.05 110.868 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.6 mtt-85 -56.76 -32.07 65.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 73.01 110.886 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.6 mmt -99.29 -30.82 12.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 64.01 110.925 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.441 ' O ' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -53.54 -28.82 33.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 73.41 110.899 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 100.59 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 71.31 110.918 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 74.4 mtt180 -63.79 -73.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 73.02 110.907 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -152.59 111.67 3.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 73.03 111.065 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 58.22 38.73 26.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 74.3 110.945 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -88.15 -32.93 18.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 65.45 110.865 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -156.53 115.17 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 65.03 110.919 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 139.04 57.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 64.23 110.938 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -51.89 -57.69 8.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 60.32 110.883 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -140.9 152.69 45.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 72.14 110.92 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.69 -40.1 84.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 65.51 111.112 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 72.1 110.922 -179.943 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.52 -0.232 . . . . 74.13 112.52 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 25.2 p -68.81 118.9 12.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.926 0.393 . . . . 74.53 110.833 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -65.43 143.9 57.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.486 . . . . 72.4 110.885 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.0 mtt -116.59 176.03 5.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 75.35 110.926 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.5 p -91.04 147.42 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 73.2 111.171 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -62.02 178.67 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 63.21 110.872 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.8 mmt -138.39 136.6 36.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.132 -0.485 . . . . 74.02 110.842 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -63.1 -31.9 73.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 74.54 110.88 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.1 ttt -73.8 157.54 36.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 71.23 110.945 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.639 ' HB3' HD13 ' A' ' 30' ' ' ILE . 8.5 ptmt -130.66 174.79 9.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.257 -0.429 . . . . 65.43 110.911 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -141.37 148.87 40.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 53.01 110.846 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.689 ' N ' HG22 ' A' ' 28' ' ' THR . 47.2 t -71.73 117.25 55.94 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.628 0.728 . . . . 72.42 110.85 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.531 ' HD3' HG22 ' A' ' 29' ' ' VAL . 53.8 Cg_endo -69.74 -5.91 17.33 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.67 2.247 . . . . 63.44 112.336 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.2 -42.8 8.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 61.32 110.888 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.7 m -109.8 -56.99 2.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 54.05 110.798 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.67 31.6 1.33 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.766 -0.731 . . . . 64.15 112.507 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 15' ' ' TYR . 6.7 tp -97.26 130.92 44.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.793 0.33 . . . . 73.14 110.92 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.468 ' N ' HD12 ' A' ' 14' ' ' LEU . 1.1 m-85 -80.32 145.46 32.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 63.5 110.881 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.484 HG22 HG21 ' A' ' 28' ' ' THR . 15.1 t -175.68 174.68 2.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 72.33 111.157 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 mt -125.31 2.77 7.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 72.14 110.844 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.3 mtpt -80.38 -2.73 46.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 72.14 110.886 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 63.18 10.33 4.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 73.42 110.847 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.636 HD13 ' HA ' ' A' ' 27' ' ' LYS . 32.0 mm -144.79 134.1 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 73.41 111.08 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.2 t -74.86 114.63 36.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.562 0.696 . . . . 64.14 110.848 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.411 ' HD2' HD23 ' A' ' 14' ' ' LEU . 53.9 Cg_endo -69.78 -5.62 16.65 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.685 2.257 . . . . 61.1 112.337 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.59 -61.97 1.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 71.53 110.837 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.3 p -100.92 -37.79 8.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 70.04 110.87 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.582 ' O ' HG23 ' A' ' 20' ' ' ILE . . . 120.46 -26.8 6.84 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.628 -0.796 . . . . 64.03 112.499 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -50.75 141.57 12.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.993 0.425 . . . . 52.21 110.813 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.636 ' HA ' HD13 ' A' ' 20' ' ' ILE . 12.0 mtmt -63.51 143.92 57.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 72.42 110.868 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.689 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.0 OUTLIER -87.24 158.16 19.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.283 -0.417 . . . . 64.34 111.106 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.531 HG22 ' HD3' ' A' ' 10' ' ' PRO . 16.0 m -136.42 155.22 33.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 61.34 111.186 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.639 HD13 ' HB3' ' A' ' 7' ' ' LYS . 24.1 mm -63.43 112.57 7.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 64.12 111.133 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 84.92 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.669 2.246 . . . . 65.34 112.322 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.5 mtmm -62.03 160.55 29.07 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.523 0.678 . . . . 61.14 110.934 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 167.75 23.57 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.664 2.242 . . . . 61.24 112.308 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -179.32 2.83 Favored 'Trans proline' 0 N--CA 1.465 -0.202 0 C-N-CA 122.695 2.264 . . . . 74.31 112.382 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -67.74 155.23 39.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 65.34 110.918 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -110.91 -28.22 8.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 71.12 110.953 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 m -128.63 164.41 22.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 74.34 110.87 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.61 -26.53 65.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 75.23 110.911 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -122.91 118.22 27.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 75.11 110.914 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -124.13 152.73 42.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 72.34 110.865 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -58.91 -66.77 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 73.03 110.859 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -101.07 -24.09 14.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 61.13 110.94 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.8 -27.86 45.11 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.676 -0.773 . . . . 24.04 112.498 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -68.59 -31.24 70.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 64.15 110.904 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -57.99 -24.81 59.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 62.24 110.936 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -31.04 31.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 72.23 110.874 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.3 mtp85 -59.9 -33.02 71.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 74.53 110.876 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 29.3 mmt -91.91 -23.61 19.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 64.33 110.844 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.7 tp -51.79 -74.95 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.234 -0.439 . . . . 64.24 110.844 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -68.06 110.37 3.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 73.54 110.894 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -72.23 138.0 47.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 75.34 110.942 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.78 -49.86 13.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 74.13 111.129 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 tp -68.61 138.03 54.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 63.24 110.868 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.2 tptt -91.58 -29.05 17.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 73.23 110.851 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -66.24 120.13 12.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.249 -0.432 . . . . 71.44 110.923 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -87.72 119.7 28.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 72.24 110.921 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -106.36 126.65 52.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 63.15 110.864 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt 53.67 36.94 24.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 65.34 110.914 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.38 138.31 31.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 60.14 111.096 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 73.22 110.911 -179.901 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.547 -0.221 . . . . 61.44 112.547 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 5.2 m -54.34 -35.25 62.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.919 0.39 . . . . 61.23 110.905 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -57.55 -32.42 67.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 72.14 110.902 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 ttm -63.29 132.8 52.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 71.52 110.813 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.5 t -130.85 140.05 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 53.31 111.107 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -76.85 158.06 31.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 63.11 110.858 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 32.3 mtt -125.64 162.93 23.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 75.11 110.848 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -61.5 -24.46 66.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 65.31 110.795 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.509 ' HA ' HD23 ' A' ' 17' ' ' LEU . 3.3 ptm -76.79 -170.85 1.72 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 53.23 110.842 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -132.42 178.44 6.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 65.33 110.935 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -146.2 147.18 31.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.314 -0.403 . . . . 75.12 110.934 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.581 ' N ' HG22 ' A' ' 28' ' ' THR . 48.5 t -72.25 116.29 47.54 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.581 0.705 . . . . 70.32 110.896 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.582 ' HD3' HG22 ' A' ' 29' ' ' VAL . 53.6 Cg_endo -69.75 -6.68 19.17 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.707 2.272 . . . . 71.13 112.361 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -94.43 -44.26 7.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 75.15 110.845 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.3 m -108.29 -56.41 2.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.918 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.57 20.8 3.13 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.685 -0.769 . . . . 73.21 112.436 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.45 HD12 ' N ' ' A' ' 15' ' ' TYR . 9.0 tp -85.14 132.75 34.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.87 0.366 . . . . 74.04 110.916 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.45 ' N ' HD12 ' A' ' 14' ' ' LEU . 26.7 m-85 -85.86 144.06 27.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 44.23 110.967 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.4 t -175.16 179.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.32 111.115 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 6' ' ' MET . 1.8 mt -130.18 5.01 4.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 61.14 110.941 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.4 mtpt -80.62 -1.19 41.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 54.53 110.932 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.435 ' O ' HD13 ' A' ' 20' ' ' ILE . 9.6 mt-10 63.79 9.96 4.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 75.04 110.89 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.675 HD13 ' HA ' ' A' ' 27' ' ' LYS . 29.2 mm -144.58 144.25 22.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 64.33 111.112 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.9 t -88.29 111.48 43.62 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.599 0.714 . . . . 73.11 110.863 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -6.35 18.36 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 63.53 112.386 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.62 -62.46 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 63.23 110.889 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.3 p -98.07 -36.17 10.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 63.52 110.903 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.4 29.2 5.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 71.22 112.536 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -111.39 138.64 47.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.378 . . . . 75.11 110.913 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.675 ' HA ' HD13 ' A' ' 20' ' ' ILE . 19.1 mtmt -49.83 143.53 7.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 65.45 110.914 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.581 HG22 ' N ' ' A' ' 9' ' ' CYS . 1.0 OUTLIER -94.53 156.97 16.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 61.01 111.111 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.582 HG22 ' HD3' ' A' ' 10' ' ' PRO . 10.3 m -131.8 147.35 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 74.34 111.133 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.436 ' N ' HD12 ' A' ' 30' ' ' ILE . 2.1 mp -64.82 113.33 10.51 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.714 0.769 . . . . 75.34 111.153 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 116.31 4.49 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.68 2.254 . . . . 74.41 112.348 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -97.03 158.83 32.71 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.623 0.725 . . . . 72.14 110.826 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 166.01 29.06 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.666 2.244 . . . . 64.22 112.362 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 -170.97 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.721 2.281 . . . . 71.14 112.387 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -163.29 151.28 13.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 74.11 110.868 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -80.61 101.89 9.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 71.22 110.864 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 m -85.84 -26.18 25.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 65.11 110.814 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 tp -69.87 -24.24 63.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 72.33 110.905 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -94.93 -35.13 12.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 71.3 110.922 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.12 115.66 15.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 64.21 110.863 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -68.24 -48.39 65.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 75.34 110.844 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 7.2 m0 -96.15 20.15 10.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 71.42 110.944 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.34 -29.34 68.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.779 -0.724 . . . . 64.12 112.429 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -84.64 -27.06 27.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.733 0.302 . . . . 75.33 110.905 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -69.7 -31.38 69.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.271 -0.422 . . . . 62.21 110.884 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.5 tpt85 -60.58 -35.95 77.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 74.22 110.855 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -30.32 71.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 71.43 110.908 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.1 tpt -82.56 -33.33 28.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 54.41 110.932 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.526 ' O ' HD23 ' A' ' 49' ' ' LEU . 1.8 tt -59.99 -28.98 68.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 73.03 110.965 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -91.99 177.93 6.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 54.33 110.885 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -120.75 149.09 43.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 72.43 110.907 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.69 -24.15 66.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 52.15 111.086 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.88 132.8 53.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 74.51 110.983 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -74.03 123.0 23.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 74.43 110.925 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -136.23 158.26 44.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 74.23 110.808 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.82 115.71 1.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 64.14 110.885 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -126.22 152.73 45.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 62.24 110.898 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -79.76 104.53 10.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 61.33 110.957 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -92.18 146.79 23.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 75.13 111.159 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 72.2 110.898 -179.91 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_