data_6kbo_residue ############################ # Computer software used # ############################ 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 6kbo _Structure_validation_residue.Date_analyzed 2019-08-09 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 ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.792 0.33 . . . . 75.42 111.072 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.98 -4.09 9.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 75.45 110.904 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.25 -1.36 55.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 73.04 112.511 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.41 ' CD1' ' HB ' ' B' ' 5' ' ' THR . 19.9 m0 -116.43 -10.36 11.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.826 0.346 . . . . 73.12 110.935 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.59 -44.83 2.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 74.53 110.926 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -73.32 -49.92 24.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 72.13 110.879 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -77.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 73.43 110.89 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.478 ' C ' ' H ' ' A' ' 11' ' ' LEU . 67.4 m -120.66 122.45 28.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.585 0.707 . . . . 75.22 110.857 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 36.83 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.731 2.288 . . . . 74.43 112.348 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.478 ' H ' ' C ' ' A' ' 9' ' ' CYS . 25.3 mt -90.52 -52.02 5.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 74.03 110.893 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -82.74 -14.21 54.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 73.31 110.887 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -104.13 -87.5 2.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.773 -0.727 . . . . 74.54 112.459 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.35 -50.02 52.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.368 . . . . 74.01 110.902 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.48 -35.35 68.32 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 63.33 112.453 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 73.03 112.496 -179.921 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 6.9 mtmm . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.826 0.346 . . . . 74.3 110.869 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.24 -55.2 2.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 75.24 110.906 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -53.85 -45.14 70.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 74.45 110.895 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 1.7 pp -73.22 0.38 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 75.11 111.142 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.41 ' HB ' ' CD1' ' A' ' 5' ' ' TRP . 0.3 OUTLIER -103.25 -25.94 13.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 74.53 111.134 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.0 t -117.46 -3.78 11.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 74.41 111.131 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 23.0 mm -121.66 -1.82 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 73.41 111.13 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -116.35 -15.5 10.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 74.41 110.899 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -72.93 -61.79 1.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 75.41 110.899 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -124.37 -5.05 7.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 74.24 110.943 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . 0.431 ' HA ' ' HB2' ' B' ' 14' ' ' LEU . 0.6 OUTLIER -110.37 21.79 16.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 75.02 110.816 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -50.16 -33.95 20.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 72.44 110.843 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -119.58 24.57 10.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.902 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' B' ' 15' ' ' THR . 4.2 mm? -122.76 123.16 40.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 74.43 110.923 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' THR . . . . . 0.439 ' C ' ' O ' ' B' ' 14' ' ' LEU . 0.1 OUTLIER -34.05 122.65 0.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 71.31 111.156 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -48.13 97.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 70.54 110.841 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.9 -50.42 1.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 74.14 110.859 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 16.5 mt -57.36 -14.77 5.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 75.24 110.883 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -55.18 -53.04 60.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 74.13 110.881 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.07 -15.98 11.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 73.22 110.851 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 10.2 mmm-85 -86.68 -17.61 33.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 75.52 110.874 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -121.5 -47.44 2.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 72.24 110.866 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -102.49 13.62 34.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 75.33 110.877 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.2 -20.06 14.87 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.791 -0.719 . . . . 71.32 112.525 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.85 -15.81 61.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.935 0.397 . . . . 74.4 110.948 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.83 -54.54 3.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 75.22 111.128 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.58 0.51 8.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 74.54 110.96 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 75.32 110.851 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.791 0.329 . . . . 75.42 111.16 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -120.48 -17.4 8.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 75.45 110.908 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.6 -17.64 73.05 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.744 -0.741 . . . . 73.04 112.481 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.42 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 3.9 m0 -124.48 -2.86 7.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.882 0.373 . . . . 73.12 110.95 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.22 -41.92 2.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 74.53 110.922 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.34 -50.41 14.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 72.13 110.854 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -79.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 73.43 110.931 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.458 ' C ' ' H ' ' A' ' 11' ' ' LEU . 13.2 m -121.15 121.67 28.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 75.22 110.922 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.66 38.36 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.708 2.272 . . . . 74.43 112.375 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.458 ' H ' ' C ' ' A' ' 9' ' ' CYS . 4.7 mt -78.87 -60.24 2.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 74.03 110.909 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.42 ' HB3' ' HB3' ' A' ' 5' ' ' TRP . 68.9 t80 -94.05 -33.29 13.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 73.31 110.92 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.31 -76.95 0.39 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 74.54 112.465 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -78.13 -24.1 47.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.341 . . . . 74.01 110.919 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.24 -50.0 4.48 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.747 -0.74 . . . . 63.33 112.517 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.8 -0.714 . . . . 73.03 112.445 -179.903 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.761 0.315 . . . . 74.3 110.896 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -50.16 -32.26 15.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 75.24 110.929 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.86 -54.85 7.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.031 -0.531 . . . . 74.45 110.878 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 3.1 mp -61.75 -15.53 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 75.11 111.108 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.01 -22.38 17.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 74.53 111.126 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.67 1.49 15.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 74.41 111.167 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 29.6 mm -112.96 -26.14 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 73.41 111.063 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.85 -7.99 16.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.847 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -120.06 17.09 12.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 75.41 110.959 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.51 -18.78 10.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 74.24 110.945 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -9.18 58.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 75.02 110.92 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 8.8 mtt-85 -107.06 -36.15 6.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 72.44 110.899 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -121.35 33.03 5.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 74.32 110.928 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.79 -29.61 3.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 74.43 110.858 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 8.8 t -50.48 -33.96 23.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 71.31 111.174 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 40.5 m170 -71.12 121.44 18.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 70.54 110.868 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.63 32.63 2.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 74.14 110.85 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 5.6 mt -119.27 20.51 12.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 75.24 110.93 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.76 -41.89 2.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 74.13 110.928 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 3.3 mmt85 -106.22 -32.0 8.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 73.22 110.896 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -90.91 -10.57 42.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 75.52 110.906 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -120.88 -42.9 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 72.24 110.954 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -104.54 11.0 34.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 75.33 110.892 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.99 -32.84 2.52 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.705 -0.759 . . . . 71.32 112.551 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.01 -11.58 60.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.884 0.374 . . . . 74.4 110.849 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -91.04 -53.6 4.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 75.22 111.167 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 2.8 pp -69.03 -2.52 10.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 74.54 110.931 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 75.32 110.856 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.744 0.307 . . . . 75.42 111.158 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -118.39 -15.0 9.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 75.45 110.881 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.85 -13.27 83.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 73.04 112.531 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 38.3 m0 -117.29 -13.37 10.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.888 0.375 . . . . 73.12 110.926 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.01 -45.18 3.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 74.53 110.936 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.89 -50.94 8.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 72.13 110.914 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -59.08 -76.24 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 73.43 110.864 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.47 ' C ' ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -120.3 118.84 31.0 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.543 0.687 . . . . 75.22 110.873 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 37.1 0.24 Allowed 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.692 2.261 . . . . 74.43 112.348 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.47 ' H ' ' C ' ' A' ' 9' ' ' CYS . 3.7 mt -89.14 -34.91 16.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.28 -0.418 . . . . 74.03 110.923 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -108.08 -26.56 10.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 73.31 110.871 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.04 -94.1 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 74.54 112.468 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.21 -24.35 63.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.811 0.339 . . . . 74.01 110.967 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -106.44 33.51 6.4 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.701 -0.761 . . . . 63.33 112.467 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 73.03 112.484 -179.943 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 21.8 mttp . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.773 0.321 . . . . 74.3 110.94 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -119.98 -52.58 2.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 75.24 110.858 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -54.67 -45.85 73.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 74.45 110.831 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 1.5 pp -68.8 -6.66 6.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 75.11 111.111 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 94.0 m -101.65 -24.61 14.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 74.53 111.153 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.08 -4.75 16.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 74.41 111.138 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 85.8 mt -106.96 -36.4 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 73.41 111.166 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -63.89 -33.39 75.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 74.41 110.837 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -106.31 20.34 19.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 75.41 110.875 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.7 tp -119.12 -28.41 5.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 74.24 110.992 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -53.88 -24.23 15.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 75.02 110.856 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -69.5 -50.86 41.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 72.44 110.829 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -123.59 62.11 1.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.93 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' B' ' 15' ' ' THR . 3.2 pp -47.48 -24.8 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.943 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' THR . . . . . 0.408 ' C ' ' O ' ' B' ' 14' ' ' LEU . 2.6 t -36.66 -46.75 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 71.31 111.177 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -89.22 124.86 34.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 70.54 110.833 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 67.6 mmt-85 -91.36 25.85 2.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.881 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 pp -47.83 -26.38 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 75.24 110.9 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -53.44 -52.22 60.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 74.13 110.876 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.418 ' HA ' ' HA3' ' B' ' 24' ' ' GLY . 10.8 ptm180 -107.8 -40.46 5.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 73.22 110.931 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 10.8 mmt-85 -61.54 -17.8 56.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 75.52 110.87 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -123.94 -57.04 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 72.24 110.863 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -90.11 15.68 9.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 75.33 110.859 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.418 ' HA3' ' HA ' ' B' ' 20' ' ' ARG . . . -112.31 -22.22 5.92 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.772 -0.728 . . . . 71.32 112.457 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -79.05 -12.35 60.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.885 0.374 . . . . 74.4 110.855 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -101.39 -54.08 2.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 75.22 111.121 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.16 1.35 7.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 74.54 110.93 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 75.32 110.853 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.773 0.32 . . . . 75.42 111.121 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.44 -16.14 11.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 75.45 110.853 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.33 -5.68 84.92 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 73.04 112.508 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -119.05 -16.79 9.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 73.12 110.927 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -121.12 -54.35 2.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 74.53 110.905 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -54.95 40.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 72.13 110.832 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -59.48 -77.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 73.43 110.943 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.488 ' C ' ' H ' ' A' ' 11' ' ' LEU . 6.3 t -120.81 120.83 29.27 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.587 0.708 . . . . 75.22 110.894 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 37.01 0.24 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.698 2.266 . . . . 74.43 112.309 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.488 ' H ' ' C ' ' A' ' 9' ' ' CYS . 13.2 mt -85.29 -38.76 18.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.442 . . . . 74.03 110.945 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -103.37 -25.58 13.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 73.31 110.893 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.28 -106.05 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.767 -0.73 . . . . 74.54 112.428 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 pttp -56.08 -25.23 44.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 74.01 110.891 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -99.86 38.9 2.92 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.73 -0.748 . . . . 63.33 112.512 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 73.03 112.498 -179.914 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.77 0.319 . . . . 74.3 110.879 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -50.98 -40.6 58.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 75.24 110.951 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -50.94 -47.42 61.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 74.45 110.887 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 3.0 mp -70.34 -5.02 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 75.11 111.11 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.8 -16.75 15.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 74.53 111.167 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.77 -2.6 8.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 74.41 111.182 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . 0.404 ' HA ' ' HB2' ' B' ' 11' ' ' PHE . 60.5 mt -118.61 -14.2 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 73.41 111.133 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -124.46 1.51 8.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 74.41 110.858 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -92.02 -60.17 1.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 75.41 110.951 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.24 -1.48 9.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 74.24 110.915 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . 0.404 ' HB2' ' HA ' ' B' ' 7' ' ' ILE . 0.5 OUTLIER -84.26 -11.83 55.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 75.02 110.87 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -75.03 -6.41 49.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 72.44 110.837 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.29 -72.17 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 74.32 110.944 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 10.9 mp -120.81 117.85 28.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.868 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 1.7 p -95.71 101.14 12.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 71.31 111.13 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -117.36 -120.22 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 70.54 110.87 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.65 55.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 74.14 110.878 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mt -116.03 21.9 13.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 75.24 110.884 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -113.65 -47.97 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 74.13 110.9 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 21.3 mtt-85 -114.91 -32.01 5.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.493 . . . . 73.22 110.923 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -80.11 -9.62 59.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 75.52 110.876 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -121.89 -53.47 1.96 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 72.24 110.891 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -101.88 15.25 29.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 75.33 110.901 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.59 -28.17 3.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 71.32 112.408 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.45 -12.06 59.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.947 0.403 . . . . 74.4 110.866 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.1 m -100.54 -53.84 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 75.22 111.204 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -69.45 -1.5 8.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 74.54 110.942 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 75.32 110.861 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.788 0.327 . . . . 75.42 111.139 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.64 -17.01 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 75.45 110.868 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.97 -10.87 85.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 73.04 112.426 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -118.22 -7.65 10.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.773 0.321 . . . . 73.12 110.9 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.54 -46.07 2.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 74.53 110.906 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.18 -55.18 3.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 72.13 110.927 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -49.6 -75.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 73.43 110.882 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.478 ' C ' ' H ' ' A' ' 11' ' ' LEU . 1.0 OUTLIER -120.43 115.64 32.51 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.596 0.712 . . . . 75.22 110.887 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.66 36.59 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.67 2.247 . . . . 74.43 112.377 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.478 ' H ' ' C ' ' A' ' 9' ' ' CYS . 4.3 mt -91.56 -34.43 14.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 74.03 110.982 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -99.95 -32.7 10.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.876 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.71 -99.11 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.72 -0.752 . . . . 74.54 112.515 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -22.68 66.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.881 0.372 . . . . 74.01 110.9 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.27 -32.73 68.32 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.812 -0.709 . . . . 63.33 112.464 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 73.03 112.469 -179.896 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 3.2 mttp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.788 0.328 . . . . 74.3 110.863 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -113.81 -43.36 3.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.414 . . . . 75.24 110.948 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.02 -51.05 45.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 74.45 110.864 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 6.2 mm -64.21 -12.02 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 75.11 111.185 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.58 -23.95 18.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 74.53 111.067 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.09 -37.55 10.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 74.41 111.202 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 11.9 pt -70.92 -36.93 66.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 73.41 111.086 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -76.23 -23.94 54.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.863 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -99.91 -5.73 27.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 75.41 110.889 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 13.4 tp -82.18 -36.42 27.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 74.24 110.852 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -6.6 41.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 75.02 110.81 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -76.02 -74.78 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 72.44 110.896 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -120.99 44.67 2.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 74.32 110.906 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.59 102.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 74.43 110.928 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 1.1 p -100.2 -92.05 0.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 71.31 111.185 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -123.67 -83.37 0.65 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 70.54 110.844 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -122.53 68.63 0.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 74.14 110.878 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.9 22.05 6.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 75.24 110.878 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -121.93 -51.81 2.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 74.13 110.894 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -98.87 -43.36 6.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 73.22 110.819 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.6 -1.29 33.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 75.52 110.913 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -122.98 -55.2 1.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 72.24 110.893 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -103.04 14.72 31.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 75.33 110.915 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.83 -22.67 5.27 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.633 -0.794 . . . . 71.32 112.44 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -79.14 -12.29 59.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.972 0.415 . . . . 74.4 110.94 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.65 -53.99 3.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 75.22 111.181 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.04 1.04 7.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 74.54 110.953 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 75.32 110.877 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.749 0.309 . . . . 75.42 111.091 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -114.29 -19.28 11.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 75.45 110.894 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.3 -11.07 82.23 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 73.04 112.463 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.4 ' HE1' HG21 ' B' ' 6' ' ' THR . 7.7 m0 -119.81 -8.78 9.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.868 0.366 . . . . 73.12 110.961 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.23 -46.71 2.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 74.53 110.9 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.11 -54.04 4.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 72.13 110.89 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 73.43 110.928 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.489 ' C ' ' H ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -120.25 117.6 31.77 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.614 0.721 . . . . 75.22 110.909 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 36.41 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.622 2.215 . . . . 74.43 112.369 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.489 ' H ' ' C ' ' A' ' 9' ' ' CYS . 79.6 mt -94.28 -34.02 13.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.03 110.854 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -106.83 -17.95 14.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 73.31 110.898 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.93 -101.94 0.33 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.772 -0.727 . . . . 74.54 112.47 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -28.36 65.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 74.01 110.827 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.21 -44.29 66.93 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 63.33 112.405 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 73.03 112.431 -179.824 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 2.9 mptm? . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.777 0.323 . . . . 74.3 110.867 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.41 -49.27 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.904 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -52.34 -48.2 65.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 74.45 110.895 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -73.1 0.64 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 75.11 111.128 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.16 -19.75 13.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 74.53 111.141 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.4 HG21 ' HE1' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -119.45 -9.6 9.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.408 . . . . 74.41 111.094 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . 0.414 ' HA ' ' HB2' ' B' ' 11' ' ' PHE . 70.2 mt -106.57 -13.83 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 73.41 111.072 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.09 -1.11 9.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 74.41 110.869 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -87.13 -59.34 2.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 75.41 110.891 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -121.88 -6.12 9.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.959 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . 0.414 ' HB2' ' HA ' ' B' ' 7' ' ' ILE . 0.1 OUTLIER -79.61 -3.71 48.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 75.02 110.922 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.28 -7.48 52.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 72.44 110.82 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -120.09 -74.43 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 74.32 110.93 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -107.53 108.67 20.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 74.43 110.902 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 2.4 p -99.33 100.62 11.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 71.31 111.11 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -122.29 -100.81 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 70.54 110.867 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 16.3 ptt-85 -126.61 33.4 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 74.14 110.904 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 mt -93.56 26.22 3.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 75.24 110.946 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -112.64 -50.25 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 74.13 110.812 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.03 -36.93 3.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.22 110.863 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.83 -7.45 52.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 75.52 110.882 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -123.59 -57.76 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 72.24 110.891 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -99.17 15.14 26.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 75.33 110.856 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.88 -15.42 14.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 71.32 112.487 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -78.13 -15.35 58.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.005 0.431 . . . . 74.4 110.941 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.3 -53.26 6.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 75.22 111.181 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.28 0.02 8.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 74.54 110.96 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 75.32 110.894 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.82 0.343 . . . . 75.42 111.166 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.63 -3.49 9.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 75.45 110.869 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.13 1.78 40.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 73.04 112.456 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -120.26 -23.04 6.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.86 0.362 . . . . 73.12 110.942 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.89 -58.03 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 74.53 110.866 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -59.63 -57.61 12.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 72.13 110.864 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -54.86 -75.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 73.43 110.899 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.478 ' C ' ' H ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -120.07 122.34 29.0 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.643 0.735 . . . . 75.22 110.855 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 37.3 0.24 Allowed 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.673 2.249 . . . . 74.43 112.343 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.478 ' H ' ' C ' ' A' ' 9' ' ' CYS . 52.3 mt -87.55 -35.25 18.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 74.03 110.908 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -111.62 -24.44 10.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 73.31 110.846 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.1 -109.8 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.753 -0.737 . . . . 74.54 112.529 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -59.51 -22.65 61.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 74.01 110.909 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -93.29 23.11 31.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 63.33 112.501 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.204 0 C-N-CA 120.714 -0.755 . . . . 73.03 112.453 -179.886 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.86 0.362 . . . . 74.3 110.883 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.68 -48.21 2.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 75.24 110.907 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -54.92 -47.43 74.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 74.45 110.795 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.89 -6.03 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 75.11 111.075 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.36 -33.48 10.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 74.53 111.123 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.41 -38.23 12.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 74.41 111.105 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 87.1 mt -67.44 -38.79 81.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 73.41 111.051 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.83 -3.62 42.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 74.41 110.871 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -117.8 -4.13 11.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 75.41 110.927 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.22 -18.68 7.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 74.24 110.896 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.29 -25.18 5.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 75.02 110.886 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -56.84 -22.92 40.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 72.44 110.933 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -105.33 -74.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 74.32 110.904 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 mp -116.79 -122.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 74.43 110.9 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.17 -90.9 0.57 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 71.31 111.093 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -123.51 83.88 2.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 70.54 110.906 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -120.87 -52.75 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.14 110.911 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 34.8 mt -64.55 -7.52 10.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 75.24 110.904 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -65.69 -50.0 66.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.866 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -117.42 -35.39 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 73.22 110.857 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -18.79 65.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 75.52 110.888 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -123.22 -53.4 1.83 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 72.24 110.881 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -91.19 12.42 20.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 75.33 110.919 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.03 -23.8 5.41 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.81 -0.71 . . . . 71.32 112.524 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.71 -11.89 60.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.967 0.413 . . . . 74.4 110.927 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.05 -53.84 3.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 75.22 111.147 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 pp -70.14 -1.39 9.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.284 -0.416 . . . . 74.54 110.931 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 75.32 110.859 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.857 0.361 . . . . 75.42 111.132 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.75 -18.05 10.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.218 -0.446 . . . . 75.45 110.877 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.55 -9.88 85.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 73.04 112.41 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.1 m0 -118.5 -11.81 9.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.768 0.318 . . . . 73.12 110.926 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.43 -48.1 2.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 74.53 110.878 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -82.09 -50.42 9.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.408 . . . . 72.13 110.89 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -50.29 -70.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 73.43 110.947 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.475 ' C ' ' H ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -120.3 116.38 32.35 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.577 0.703 . . . . 75.22 110.914 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.76 37.52 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.661 2.24 . . . . 74.43 112.32 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.475 ' H ' ' C ' ' A' ' 9' ' ' CYS . 95.2 mt -112.06 -18.63 12.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 74.03 110.927 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.92 -20.19 12.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 73.31 110.857 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -120.12 -77.01 0.49 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 74.54 112.44 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.0 -57.59 7.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.807 0.337 . . . . 74.01 110.853 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -96.33 30.04 9.29 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 63.33 112.506 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 73.03 112.516 -179.903 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.831 0.348 . . . . 74.3 110.953 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.16 -49.35 2.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 75.24 110.958 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -53.54 -47.69 69.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 74.45 110.918 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.56 -4.25 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 75.11 111.11 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 88.5 m -99.45 -26.79 14.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 74.53 111.152 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.8 t -109.43 -8.92 14.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 74.41 111.198 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 22.6 mm -94.74 -31.97 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 73.41 111.15 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.49 -24.3 66.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.856 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -115.59 14.43 16.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 75.41 110.88 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.0 tp -120.44 -26.34 5.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 74.24 110.865 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.73 -7.68 11.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 75.02 110.991 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -44.77 -83.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 72.44 110.848 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -124.86 7.37 8.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.897 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mt -121.78 121.09 36.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.932 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.04 -94.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 71.31 111.129 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -125.1 80.81 1.91 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.203 -0.453 . . . . 70.54 110.829 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.423 ' C ' ' H ' ' B' ' 19' ' ' PHE . 0.0 OUTLIER -121.68 -64.94 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 74.14 110.895 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 8.8 mt -68.86 3.23 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 75.24 110.873 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.423 ' H ' ' C ' ' B' ' 17' ' ' ARG . 7.4 t80 -81.61 -48.25 11.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 74.13 110.875 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -116.63 -34.27 4.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 73.22 110.84 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 35.6 mmm-85 -70.98 -8.65 54.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 75.52 110.847 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -122.77 -61.77 1.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 72.24 110.924 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -95.41 16.13 17.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 75.33 110.859 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.34 -18.54 8.55 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.73 -0.748 . . . . 71.32 112.489 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -80.54 -11.55 59.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.95 0.405 . . . . 74.4 110.891 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.93 -54.26 3.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 75.22 111.122 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 pp -70.47 -0.99 9.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 74.54 110.892 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 75.32 110.917 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.776 0.322 . . . . 75.42 111.117 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -119.93 -13.57 9.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 75.45 110.875 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.64 -12.8 84.14 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.737 -0.744 . . . . 73.04 112.446 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 21.3 m0 -116.84 -12.85 10.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.775 0.321 . . . . 73.12 110.924 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.67 -46.93 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 74.53 110.902 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.79 -49.51 14.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 72.13 110.831 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -74.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 73.43 110.909 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.471 ' C ' ' H ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -119.21 121.05 30.55 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.557 0.694 . . . . 75.22 110.941 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.87 37.27 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.669 2.246 . . . . 74.43 112.322 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.471 ' H ' ' C ' ' A' ' 9' ' ' CYS . 1.4 pp -110.54 -30.01 7.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 74.03 110.926 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -104.87 -17.61 14.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 73.31 110.855 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.1 -83.09 0.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.696 -0.764 . . . . 74.54 112.487 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -73.1 -24.99 60.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.859 0.361 . . . . 74.01 110.878 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.66 -66.39 2.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.811 -0.709 . . . . 63.33 112.468 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 C-N-CA 120.8 -0.714 . . . . 73.03 112.57 -179.904 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 6.2 mttt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.837 0.351 . . . . 74.3 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.8 -48.92 2.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 75.24 110.887 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -53.55 -47.7 69.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 74.45 110.943 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.22 -8.01 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 75.11 111.154 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.03 -27.01 14.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 74.53 111.144 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 2.9 t -108.5 -2.99 18.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 74.41 111.168 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 76.3 mt -105.97 -29.3 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 73.41 111.142 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -62.88 -36.42 83.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.907 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.6 16.62 25.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 75.41 110.853 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 tp -118.55 -32.12 4.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 74.24 110.916 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . 0.418 ' O ' ' C ' ' B' ' 12' ' ' ARG . 0.3 OUTLIER -56.58 -15.2 3.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 75.02 110.933 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' B' ' 11' ' ' PHE . 5.3 mtt180 -37.1 -73.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 72.44 110.838 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -120.84 -15.14 8.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.851 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 21.0 mt -116.44 110.69 18.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 74.43 110.934 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -48.39 -82.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 71.31 111.148 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -126.11 82.48 2.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 70.54 110.832 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.401 ' C ' ' H ' ' B' ' 19' ' ' PHE . 0.7 OUTLIER -121.0 -72.37 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 74.14 110.883 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 21.6 mt -58.56 -8.29 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 75.24 110.901 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.401 ' H ' ' C ' ' B' ' 17' ' ' ARG . 7.5 t80 -65.59 -51.85 56.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.888 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 24.7 mtp85 -115.08 -12.97 11.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 73.22 110.879 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 1.4 mmt-85 -90.22 -16.93 28.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 75.52 110.946 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -121.09 -46.98 2.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 72.24 110.888 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -105.92 15.26 26.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 75.33 110.879 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.11 -20.57 23.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.741 . . . . 71.32 112.468 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.06 -2.07 46.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.032 0.444 . . . . 74.4 110.933 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.1 m -109.25 -54.84 2.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 75.22 111.157 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 pp -70.73 -0.57 9.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.54 110.896 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 75.32 110.848 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.798 0.332 . . . . 75.42 111.069 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.6 -9.25 9.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 75.45 110.875 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.31 -8.5 74.58 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.755 -0.736 . . . . 73.04 112.465 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.1 m0 -123.64 -33.66 3.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.869 0.366 . . . . 73.12 110.91 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -54.74 7.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 74.53 110.877 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -65.12 -20.42 66.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 72.13 110.829 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -77.89 80.18 4.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 73.43 110.865 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.482 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -72.7 -59.87 2.21 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.579 0.704 . . . . 75.22 110.898 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.9 Cg_endo -69.7 -6.36 18.39 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.688 2.259 . . . . 74.43 112.343 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.0 mt -105.49 -61.07 1.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.409 . . . . 74.03 110.911 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -89.34 -42.06 11.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 73.31 110.873 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.52 -99.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.669 -0.777 . . . . 74.54 112.5 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -75.13 -16.51 60.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 74.01 110.917 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.21 -27.03 30.53 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 63.33 112.491 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 C-N-CA 120.75 -0.738 . . . . 73.03 112.561 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 1.8 mttt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.77 0.319 . . . . 74.3 110.962 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.8 -59.94 1.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 75.24 110.853 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -54.52 -44.1 72.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 74.45 110.915 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 tp -69.4 -7.16 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 75.11 111.152 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 24.0 m -95.74 -33.68 12.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 74.53 111.163 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.84 -37.3 11.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 74.41 111.131 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 97.7 mt -65.87 -36.02 76.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 73.41 111.134 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -79.51 -6.16 56.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.893 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -120.95 -0.13 10.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.893 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 pp -121.3 -18.05 7.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 74.24 110.962 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.72 -27.77 19.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 75.02 110.873 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -62.89 -62.71 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 72.44 110.89 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' B' ' 15' ' ' THR . 19.8 mttm -122.86 63.36 0.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 74.32 110.94 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.81 76.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.886 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' THR . . . . . 0.525 ' N ' ' O ' ' B' ' 13' ' ' LYS . 1.0 OUTLIER -126.12 -37.71 2.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 71.31 111.147 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -83.0 125.1 31.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 70.54 110.83 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.07 3.85 11.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 74.14 110.896 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 pp -49.85 -24.96 2.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 75.24 110.969 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -48.24 -58.82 4.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.849 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 24.6 ptt85 -107.76 -29.22 9.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 73.22 110.874 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -70.15 -18.36 63.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 75.52 110.81 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -122.86 -55.15 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 72.24 110.888 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -91.33 14.02 15.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 75.33 110.882 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.35 -22.56 5.79 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.72 -0.752 . . . . 71.32 112.458 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -79.05 -11.94 60.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.974 0.416 . . . . 74.4 110.911 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.1 m -97.41 -54.02 3.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 75.22 111.132 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -69.46 -1.53 8.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 74.54 110.916 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 3.8 ttt85 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 75.32 110.908 179.898 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.766 0.317 . . . . 75.42 111.091 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.7 -8.26 9.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 75.45 110.889 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.35 -5.52 67.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 73.04 112.515 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -116.64 -5.24 11.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.851 0.357 . . . . 73.12 110.86 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.52 -33.36 5.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 74.53 110.932 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -56.69 -23.29 41.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 72.13 110.875 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.22 109.94 20.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 73.43 110.911 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.635 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -71.16 -51.52 10.25 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.569 0.699 . . . . 75.22 110.841 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.7 Cg_endo -69.78 16.65 0.21 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.704 2.269 . . . . 74.43 112.344 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.491 ' H ' ' C ' ' A' ' 9' ' ' CYS . 12.2 mt -122.59 -77.44 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 74.03 110.906 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.27 -25.0 5.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 73.31 110.905 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.2 -83.21 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.68 -0.771 . . . . 74.54 112.574 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.56 -5.5 42.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 74.01 110.892 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -87.87 -44.83 5.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 63.33 112.432 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 C-N-CA 120.769 -0.729 . . . . 73.03 112.553 -179.914 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 14.4 mttt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.811 0.339 . . . . 74.3 110.885 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -121.34 -53.09 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 75.24 110.887 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -54.43 -46.28 73.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.089 -0.505 . . . . 74.45 110.884 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 pp -72.41 -2.69 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 75.11 111.192 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -104.21 -20.06 13.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 74.53 111.143 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.61 -5.31 10.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 74.41 111.144 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 62.4 mt -114.86 -11.97 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 73.41 111.118 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -123.91 -1.37 8.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 74.41 110.874 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -85.79 -61.51 1.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 75.41 110.88 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.82 -2.45 8.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.24 110.933 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -80.75 -1.02 41.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 75.02 110.847 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -67.27 -11.32 57.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.118 -0.492 . . . . 72.44 110.917 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.74 -75.31 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.833 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 mp -120.75 120.44 35.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 74.43 110.931 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 1.7 t -119.97 126.36 50.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 71.31 111.094 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -123.68 -98.8 0.43 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 70.54 110.872 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -125.46 -4.67 7.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.92 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 94.7 mt -49.95 -23.75 2.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 75.24 110.998 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -49.41 -63.55 1.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 74.13 110.901 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -104.11 -31.97 9.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 73.22 110.844 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -14.87 60.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 75.52 110.822 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -123.41 -60.37 1.48 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 72.24 110.904 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -89.69 13.66 13.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 75.33 110.924 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.42 -19.12 8.11 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.727 -0.749 . . . . 71.32 112.476 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -79.84 -13.21 59.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.971 0.415 . . . . 74.4 110.918 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.5 -54.23 3.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 75.22 111.092 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.9 0.94 7.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 74.54 110.919 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 24.3 ttt-85 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 75.32 110.846 179.915 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.795 0.331 . . . . 75.42 111.081 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.71 -13.78 9.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.415 . . . . 75.45 110.899 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.3 -13.15 83.9 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.778 -0.725 . . . . 73.04 112.458 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -118.85 -20.79 8.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.881 0.372 . . . . 73.12 110.919 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.18 -39.03 15.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 74.53 110.93 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -81.85 -17.17 48.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 72.13 110.864 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -81.65 108.61 15.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 73.43 110.884 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.54 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -93.11 -64.96 0.13 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.639 0.733 . . . . 75.22 110.923 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 53.2 Cg_endo -69.7 -13.3 34.63 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.748 2.299 . . . . 74.43 112.367 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.9 mt -83.74 -76.78 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 74.03 110.906 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -118.6 -12.62 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 73.31 110.919 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.79 -108.91 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.729 . . . . 74.54 112.479 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -74.68 -17.3 60.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 74.01 110.882 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.33 47.94 1.93 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.794 -0.717 . . . . 63.33 112.521 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.739 -0.744 . . . . 73.03 112.572 -179.94 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 12.5 mttt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.757 0.313 . . . . 74.3 110.912 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.47 -50.78 1.98 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 75.24 110.924 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -54.67 -44.64 73.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 74.45 110.819 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 1.4 pp -75.37 2.76 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 75.11 111.111 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 46.2 m -106.2 -24.97 12.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 74.53 111.166 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.23 -7.09 10.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 74.41 111.122 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 9.7 mt -122.42 4.3 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 73.41 111.142 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -117.92 -19.2 9.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.41 110.886 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -69.91 -63.84 1.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 75.41 110.858 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.76 -1.91 6.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 74.24 110.928 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 1.4 m-30 -115.0 24.5 11.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 75.02 110.901 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.15 -36.3 13.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 72.44 110.865 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -120.6 12.95 11.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 74.32 110.906 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -122.33 119.71 31.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 74.43 110.835 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -122.32 104.15 9.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 71.31 111.133 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -111.86 -125.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 70.54 110.865 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 10.6 ptt180 -124.11 -24.84 4.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 74.14 110.856 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 pp -48.63 -25.04 1.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 75.24 110.852 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -46.2 -64.62 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 74.13 110.871 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.42 -23.53 13.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 73.22 110.928 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -15.99 61.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 75.52 110.87 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.59 -56.67 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 72.24 110.868 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -92.94 13.26 21.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 75.33 110.856 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -108.8 -17.29 10.49 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 71.32 112.494 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -79.38 -13.84 59.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.94 0.4 . . . . 74.4 110.906 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.22 -53.63 4.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 75.22 111.163 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.46 0.31 8.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 74.54 110.879 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 75.32 110.85 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.761 0.315 . . . . 75.42 111.065 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.03 -6.72 9.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 75.45 110.89 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.77 -6.31 63.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.785 -0.721 . . . . 73.04 112.45 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 16.8 m0 -118.74 -26.37 6.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 73.12 110.936 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -104.41 -57.37 2.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 74.53 110.858 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.79 -48.31 63.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 72.13 110.833 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.16 -77.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 73.43 110.895 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.469 ' C ' ' H ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -121.04 118.77 30.12 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.634 0.73 . . . . 75.22 110.92 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 39.25 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.668 2.246 . . . . 74.43 112.308 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.469 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -98.89 -53.65 3.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.253 -0.43 . . . . 74.03 110.959 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -49.7 -33.63 16.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 73.31 110.872 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.74 -85.72 1.86 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.667 -0.778 . . . . 74.54 112.531 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -52.59 -45.52 66.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 74.01 110.922 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.46 -36.2 37.89 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.694 -0.765 . . . . 63.33 112.53 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 C-N-CA 120.733 -0.746 . . . . 73.03 112.49 -179.931 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 3.6 mptt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.769 0.319 . . . . 74.3 110.937 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . 0.471 ' O ' ' CG2' ' B' ' 5' ' ' THR . 0.9 OUTLIER -116.91 -44.61 2.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 75.24 110.952 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.486 ' HA ' HG23 ' B' ' 6' ' ' THR . 2.8 pt-20 -50.48 -24.13 2.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 74.45 110.886 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 2.4 pp -73.15 -8.79 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.105 -0.498 . . . . 75.11 111.103 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.476 HG21 HG21 ' B' ' 6' ' ' THR . 9.3 t -122.27 -12.89 8.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 74.53 111.054 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.486 HG23 ' HA ' ' B' ' 3' ' ' GLU . 0.5 OUTLIER -113.42 -8.11 13.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.311 -0.404 . . . . 74.41 111.141 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 19.8 mm -116.83 -28.71 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 73.41 111.187 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.28 -5.5 15.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 74.41 110.83 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -121.93 20.5 10.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 75.41 110.835 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -120.44 -21.8 6.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 74.24 110.92 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -46.76 -29.49 1.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 75.02 110.869 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 5.1 mmt85 -72.85 -48.18 39.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 72.44 110.835 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.524 ' O ' ' C ' ' B' ' 14' ' ' LEU . 29.1 ttmt -123.52 57.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 74.32 110.918 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.524 ' C ' ' O ' ' B' ' 13' ' ' LYS . 0.4 OUTLIER -27.77 106.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.845 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.8 121.4 26.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 71.31 111.146 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -55.68 -76.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 70.54 110.864 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -119.96 -8.88 9.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 74.14 110.885 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 76.4 mt -52.75 -22.74 5.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 75.24 110.946 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -49.36 -59.6 3.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 74.13 110.904 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.86 -28.22 10.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.052 -0.522 . . . . 73.22 110.837 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.42 -17.37 62.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 75.52 110.894 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -122.66 -54.89 1.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 72.24 110.841 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -92.84 13.88 19.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 75.33 110.886 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.91 -22.88 5.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 71.32 112.532 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -78.27 -12.86 60.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.915 0.388 . . . . 74.4 110.945 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.55 -54.42 3.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 75.22 111.114 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.32 1.41 7.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 74.54 110.902 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 75.32 110.8 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.767 0.317 . . . . 75.42 111.138 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -120.48 -7.91 9.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 75.45 110.87 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.79 -4.68 65.16 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 73.04 112.5 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -116.66 -4.3 11.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.784 0.326 . . . . 73.12 110.885 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.92 -34.89 4.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 74.53 110.886 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -51.71 -27.77 12.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 72.13 110.869 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -109.6 113.72 26.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 73.43 110.891 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.601 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 1.8 m -71.35 -53.88 7.46 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.565 0.698 . . . . 75.22 110.859 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.8 Cg_endo -69.72 21.4 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.698 2.265 . . . . 74.43 112.337 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.52 ' H ' ' C ' ' A' ' 9' ' ' CYS . 8.6 mt -122.05 -77.81 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 74.03 110.951 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.23 -20.51 7.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.866 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.72 -76.79 0.21 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.702 -0.761 . . . . 74.54 112.476 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -90.72 -16.42 28.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.348 . . . . 74.01 110.885 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.53 -29.89 63.06 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 63.33 112.495 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.743 . . . . 73.03 112.506 -179.918 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.782 0.325 . . . . 74.3 110.874 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -121.07 -54.97 1.99 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 75.24 110.972 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.23 -47.29 69.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.121 -0.49 . . . . 74.45 110.89 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.64 -10.87 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 75.11 111.117 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.19 -20.43 19.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 74.53 111.134 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -116.7 -6.6 11.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.449 . . . . 74.41 111.13 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 84.9 mt -110.52 -13.64 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 73.41 111.118 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.48 -1.38 9.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.87 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -86.23 -59.19 2.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 75.41 110.84 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.11 -6.0 8.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.44 . . . . 74.24 110.951 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -82.95 -0.3 47.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 75.02 110.879 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -61.65 -17.65 56.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 72.44 110.888 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.48 -74.58 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 74.32 110.94 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 19.9 mt -120.2 115.94 24.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 74.43 110.939 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 2.9 p -87.66 101.98 14.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 71.31 111.113 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -97.68 -122.5 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 70.54 110.921 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.86 -2.18 8.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 74.14 110.879 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 19.8 mt -49.6 -24.52 2.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 75.24 110.942 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -47.96 -61.68 1.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 74.13 110.889 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.4 ' HA ' ' HA3' ' B' ' 24' ' ' GLY . 0.1 OUTLIER -109.23 -30.9 7.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 73.22 110.888 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.5 -16.99 64.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 75.52 110.825 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -123.91 -57.75 1.6 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.249 -0.432 . . . . 72.24 110.919 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -90.23 12.85 16.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 75.33 110.961 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.4 ' HA3' ' HA ' ' B' ' 20' ' ' ARG . . . -106.6 -5.28 36.61 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.76 -0.733 . . . . 71.32 112.528 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.8 -3.45 48.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.982 0.42 . . . . 74.4 110.952 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.76 -52.38 4.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 75.22 111.146 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.462 HD11 ' N ' ' B' ' 28' ' ' ARG . 0.0 OUTLIER -69.27 -1.65 8.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 74.54 110.891 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.462 ' N ' HD11 ' B' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 75.32 110.853 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.819 0.342 . . . . 75.42 111.086 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -111.42 -21.66 11.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 75.45 110.874 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.17 -10.08 84.2 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 73.04 112.433 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -118.0 -14.61 9.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.848 0.356 . . . . 73.12 110.963 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -120.46 -54.26 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 74.53 110.915 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -59.62 -54.84 41.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 72.13 110.834 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -76.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 73.43 110.877 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.458 ' C ' ' H ' ' A' ' 11' ' ' LEU . 18.1 t -121.15 114.92 31.83 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 121.594 0.712 . . . . 75.22 110.876 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 38.88 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.624 2.216 . . . . 74.43 112.348 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.59 HD12 ' N ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -103.39 -6.51 21.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 74.03 110.948 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.59 ' N ' HD12 ' A' ' 11' ' ' LEU . 2.0 t80 -120.58 -17.63 8.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 73.31 110.979 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.53 -65.38 1.62 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 74.54 112.535 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.5 pttp -69.22 -30.09 68.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.709 0.29 . . . . 74.01 110.909 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -76.64 -80.11 0.63 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.707 -0.759 . . . . 63.33 112.506 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.692 -0.766 . . . . 73.03 112.517 -179.923 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.814 0.34 . . . . 74.3 110.931 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.9 -54.07 2.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 75.24 110.899 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -52.66 -46.99 67.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 74.45 110.837 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 3.1 mp -69.75 -4.74 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 75.11 111.166 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 92.4 m -100.23 -21.49 15.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 74.53 111.175 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.2 t -121.46 -0.4 9.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 74.41 111.114 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . 0.407 ' HA ' ' HB2' ' B' ' 11' ' ' PHE . 1.3 tp -118.59 -14.18 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 73.41 111.084 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.61 6.26 7.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.85 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -99.74 -55.23 2.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 75.41 110.917 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -120.47 -6.27 9.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 74.24 110.937 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' PHE . . . . . 0.407 ' HB2' ' HA ' ' B' ' 7' ' ' ILE . 0.1 OUTLIER -78.6 1.05 23.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 75.02 110.94 179.886 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 17.0 mtt-85 -48.12 -71.14 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 72.44 110.868 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -121.64 -3.18 9.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 74.32 110.926 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mt -120.33 115.02 22.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 74.43 110.889 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.34 104.12 15.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 71.31 111.154 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -105.24 123.77 48.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 70.54 110.853 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -12.2 44.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 74.14 110.861 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.87 -23.81 1.23 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 75.24 110.869 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -50.63 -61.59 2.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.943 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -104.3 -13.06 16.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 73.22 110.841 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.96 -22.65 27.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 75.52 110.861 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -123.12 -43.3 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 72.24 110.913 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -102.89 13.13 35.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 75.33 110.845 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.23 -16.78 62.02 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.748 -0.739 . . . . 71.32 112.467 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -59.96 -32.7 71.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.0 0.429 . . . . 74.4 110.971 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -91.65 -53.2 4.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 75.22 111.101 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.31 -1.8 7.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 74.54 110.9 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 75.32 110.865 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 35.9 m . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.825 0.345 . . . . 74.33 111.125 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.51 65.32 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 75.42 111.072 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.98 -4.09 9.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 75.45 110.904 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.25 -1.36 55.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 73.04 112.511 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.41 ' CD1' ' HB ' ' B' ' 5' ' ' THR . 19.9 m0 -116.43 -10.36 11.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.826 0.346 . . . . 73.12 110.935 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.59 -44.83 2.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 74.53 110.926 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -73.32 -49.92 24.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 72.13 110.879 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -77.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 73.43 110.89 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.478 ' C ' ' H ' ' A' ' 11' ' ' LEU . 67.4 m -120.66 122.45 28.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.585 0.707 . . . . 75.22 110.857 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 36.83 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.731 2.288 . . . . 74.43 112.348 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.478 ' H ' ' C ' ' A' ' 9' ' ' CYS . 25.3 mt -90.52 -52.02 5.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 74.03 110.893 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -82.74 -14.21 54.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 73.31 110.887 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -104.13 -87.5 2.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.773 -0.727 . . . . 74.54 112.459 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.35 -50.02 52.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.368 . . . . 74.01 110.902 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.48 -35.35 68.32 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 63.33 112.453 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 73.03 112.496 -179.921 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 6.9 mtmm . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.826 0.346 . . . . 74.3 110.869 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.24 -55.2 2.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 75.24 110.906 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -53.85 -45.14 70.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 74.45 110.895 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 1.7 pp -73.22 0.38 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 75.11 111.142 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.41 ' HB ' ' CD1' ' A' ' 5' ' ' TRP . 0.3 OUTLIER -103.25 -25.94 13.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 74.53 111.134 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.0 t -117.46 -3.78 11.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 74.41 111.131 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 23.0 mm -121.66 -1.82 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 73.41 111.13 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -116.35 -15.5 10.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 74.41 110.899 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -72.93 -61.79 1.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 75.41 110.899 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -124.37 -5.05 7.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 74.24 110.943 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . 0.431 ' HA ' ' HB2' ' B' ' 14' ' ' LEU . 0.6 OUTLIER -110.37 21.79 16.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 75.02 110.816 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -50.16 -33.95 20.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 72.44 110.843 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -119.58 24.57 10.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.902 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' B' ' 15' ' ' THR . 4.2 mm? -122.76 123.16 40.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 74.43 110.923 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' THR . . . . . 0.439 ' C ' ' O ' ' B' ' 14' ' ' LEU . 0.1 OUTLIER -34.05 122.65 0.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 71.31 111.156 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -48.13 97.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 70.54 110.841 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.9 -50.42 1.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 74.14 110.859 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 16.5 mt -57.36 -14.77 5.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 75.24 110.883 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -55.18 -53.04 60.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 74.13 110.881 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.07 -15.98 11.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 73.22 110.851 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 10.2 mmm-85 -86.68 -17.61 33.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 75.52 110.874 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -121.5 -47.44 2.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 72.24 110.866 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -102.49 13.62 34.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 75.33 110.877 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.2 -20.06 14.87 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.791 -0.719 . . . . 71.32 112.525 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.85 -15.81 61.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.935 0.397 . . . . 74.4 110.948 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.83 -54.54 3.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 75.22 111.128 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.58 0.51 8.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 74.54 110.96 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 75.32 110.851 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 19.2 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.823 0.344 . . . . 74.33 111.081 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.01 74.24 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 75.42 111.16 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -120.48 -17.4 8.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 75.45 110.908 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.6 -17.64 73.05 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.744 -0.741 . . . . 73.04 112.481 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.42 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 3.9 m0 -124.48 -2.86 7.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.882 0.373 . . . . 73.12 110.95 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.22 -41.92 2.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 74.53 110.922 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.34 -50.41 14.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 72.13 110.854 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -79.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 73.43 110.931 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.458 ' C ' ' H ' ' A' ' 11' ' ' LEU . 13.2 m -121.15 121.67 28.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 75.22 110.922 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.66 38.36 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.708 2.272 . . . . 74.43 112.375 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.458 ' H ' ' C ' ' A' ' 9' ' ' CYS . 4.7 mt -78.87 -60.24 2.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 74.03 110.909 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.42 ' HB3' ' HB3' ' A' ' 5' ' ' TRP . 68.9 t80 -94.05 -33.29 13.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 73.31 110.92 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.31 -76.95 0.39 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 74.54 112.465 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -78.13 -24.1 47.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.341 . . . . 74.01 110.919 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.24 -50.0 4.48 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.747 -0.74 . . . . 63.33 112.517 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.8 -0.714 . . . . 73.03 112.445 -179.903 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.761 0.315 . . . . 74.3 110.896 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 8.1 p90 -50.16 -32.26 15.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 75.24 110.929 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.86 -54.85 7.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.031 -0.531 . . . . 74.45 110.878 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 3.1 mp -61.75 -15.53 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 75.11 111.108 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.01 -22.38 17.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 74.53 111.126 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.67 1.49 15.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 74.41 111.167 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 29.6 mm -112.96 -26.14 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 73.41 111.063 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.85 -7.99 16.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.847 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -120.06 17.09 12.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 75.41 110.959 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.51 -18.78 10.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 74.24 110.945 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -9.18 58.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 75.02 110.92 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 8.8 mtt-85 -107.06 -36.15 6.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 72.44 110.899 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -121.35 33.03 5.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 74.32 110.928 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.79 -29.61 3.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 74.43 110.858 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 8.8 t -50.48 -33.96 23.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 71.31 111.174 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 40.5 m170 -71.12 121.44 18.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 70.54 110.868 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.63 32.63 2.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 74.14 110.85 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 5.6 mt -119.27 20.51 12.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 75.24 110.93 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.76 -41.89 2.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 74.13 110.928 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 3.3 mmt85 -106.22 -32.0 8.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 73.22 110.896 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -90.91 -10.57 42.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 75.52 110.906 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -120.88 -42.9 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 72.24 110.954 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -104.54 11.0 34.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 75.33 110.892 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.99 -32.84 2.52 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.705 -0.759 . . . . 71.32 112.551 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.01 -11.58 60.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.884 0.374 . . . . 74.4 110.849 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -91.04 -53.6 4.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 75.22 111.167 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 2.8 pp -69.03 -2.52 10.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 74.54 110.931 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 75.32 110.856 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.803 0.335 . . . . 74.33 111.132 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.26 73.03 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 75.42 111.158 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -118.39 -15.0 9.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 75.45 110.881 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.85 -13.27 83.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 73.04 112.531 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 38.3 m0 -117.29 -13.37 10.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.888 0.375 . . . . 73.12 110.926 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.01 -45.18 3.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 74.53 110.936 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.89 -50.94 8.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 72.13 110.914 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -59.08 -76.24 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 73.43 110.864 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.47 ' C ' ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -120.3 118.84 31.0 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.543 0.687 . . . . 75.22 110.873 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 37.1 0.24 Allowed 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.692 2.261 . . . . 74.43 112.348 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.47 ' H ' ' C ' ' A' ' 9' ' ' CYS . 3.7 mt -89.14 -34.91 16.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.28 -0.418 . . . . 74.03 110.923 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -108.08 -26.56 10.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 73.31 110.871 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.04 -94.1 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 74.54 112.468 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.21 -24.35 63.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.811 0.339 . . . . 74.01 110.967 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -106.44 33.51 6.4 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.701 -0.761 . . . . 63.33 112.467 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 73.03 112.484 -179.943 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 21.8 mttp . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.773 0.321 . . . . 74.3 110.94 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -119.98 -52.58 2.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 75.24 110.858 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -54.67 -45.85 73.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 74.45 110.831 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 1.5 pp -68.8 -6.66 6.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 75.11 111.111 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 94.0 m -101.65 -24.61 14.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 74.53 111.153 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.08 -4.75 16.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 74.41 111.138 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 85.8 mt -106.96 -36.4 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 73.41 111.166 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -63.89 -33.39 75.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 74.41 110.837 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -106.31 20.34 19.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 75.41 110.875 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.7 tp -119.12 -28.41 5.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 74.24 110.992 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -53.88 -24.23 15.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 75.02 110.856 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -69.5 -50.86 41.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 72.44 110.829 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -123.59 62.11 1.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.93 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' B' ' 15' ' ' THR . 3.2 pp -47.48 -24.8 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.943 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' THR . . . . . 0.408 ' C ' ' O ' ' B' ' 14' ' ' LEU . 2.6 t -36.66 -46.75 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 71.31 111.177 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -89.22 124.86 34.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 70.54 110.833 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 67.6 mmt-85 -91.36 25.85 2.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.881 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 pp -47.83 -26.38 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 75.24 110.9 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -53.44 -52.22 60.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 74.13 110.876 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.418 ' HA ' ' HA3' ' B' ' 24' ' ' GLY . 10.8 ptm180 -107.8 -40.46 5.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 73.22 110.931 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 10.8 mmt-85 -61.54 -17.8 56.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 75.52 110.87 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -123.94 -57.04 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 72.24 110.863 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -90.11 15.68 9.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 75.33 110.859 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.418 ' HA3' ' HA ' ' B' ' 20' ' ' ARG . . . -112.31 -22.22 5.92 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.772 -0.728 . . . . 71.32 112.457 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -79.05 -12.35 60.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.885 0.374 . . . . 74.4 110.855 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -101.39 -54.08 2.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 75.22 111.121 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.16 1.35 7.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 74.54 110.93 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 75.32 110.853 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.5 p . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.784 0.326 . . . . 74.33 111.123 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.43 69.57 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 75.42 111.121 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.44 -16.14 11.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 75.45 110.853 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.33 -5.68 84.92 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 73.04 112.508 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -119.05 -16.79 9.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 73.12 110.927 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -121.12 -54.35 2.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 74.53 110.905 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -54.95 40.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 72.13 110.832 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -59.48 -77.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 73.43 110.943 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.488 ' C ' ' H ' ' A' ' 11' ' ' LEU . 6.3 t -120.81 120.83 29.27 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.587 0.708 . . . . 75.22 110.894 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 37.01 0.24 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.698 2.266 . . . . 74.43 112.309 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.488 ' H ' ' C ' ' A' ' 9' ' ' CYS . 13.2 mt -85.29 -38.76 18.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.442 . . . . 74.03 110.945 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -103.37 -25.58 13.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 73.31 110.893 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.28 -106.05 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.767 -0.73 . . . . 74.54 112.428 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 pttp -56.08 -25.23 44.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 74.01 110.891 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -99.86 38.9 2.92 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.73 -0.748 . . . . 63.33 112.512 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 73.03 112.498 -179.914 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.77 0.319 . . . . 74.3 110.879 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -50.98 -40.6 58.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 75.24 110.951 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -50.94 -47.42 61.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 74.45 110.887 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 3.0 mp -70.34 -5.02 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 75.11 111.11 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.8 -16.75 15.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 74.53 111.167 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.77 -2.6 8.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 74.41 111.182 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.404 ' HA ' ' HB2' ' B' ' 11' ' ' PHE . 60.5 mt -118.61 -14.2 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 73.41 111.133 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -124.46 1.51 8.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 74.41 110.858 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -92.02 -60.17 1.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 75.41 110.951 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.24 -1.48 9.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 74.24 110.915 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . 0.404 ' HB2' ' HA ' ' B' ' 7' ' ' ILE . 0.5 OUTLIER -84.26 -11.83 55.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 75.02 110.87 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -75.03 -6.41 49.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 72.44 110.837 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.29 -72.17 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 74.32 110.944 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 10.9 mp -120.81 117.85 28.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.868 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 1.7 p -95.71 101.14 12.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 71.31 111.13 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -117.36 -120.22 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 70.54 110.87 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.65 55.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 74.14 110.878 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mt -116.03 21.9 13.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 75.24 110.884 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -113.65 -47.97 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 74.13 110.9 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 21.3 mtt-85 -114.91 -32.01 5.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.493 . . . . 73.22 110.923 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -80.11 -9.62 59.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 75.52 110.876 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -121.89 -53.47 1.96 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 72.24 110.891 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -101.88 15.25 29.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 75.33 110.901 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.59 -28.17 3.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 71.32 112.408 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.45 -12.06 59.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.947 0.403 . . . . 74.4 110.866 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.1 m -100.54 -53.84 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 75.22 111.204 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -69.45 -1.5 8.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 74.54 110.942 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 75.32 110.861 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 32.9 m . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.908 0.385 . . . . 74.33 111.101 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.26 73.08 0.97 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.115 -0.493 . . . . 75.42 111.139 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.64 -17.01 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 75.45 110.868 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.97 -10.87 85.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 73.04 112.426 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -118.22 -7.65 10.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.773 0.321 . . . . 73.12 110.9 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.54 -46.07 2.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 74.53 110.906 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.18 -55.18 3.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 72.13 110.927 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -49.6 -75.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 73.43 110.882 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.478 ' C ' ' H ' ' A' ' 11' ' ' LEU . 1.0 OUTLIER -120.43 115.64 32.51 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.596 0.712 . . . . 75.22 110.887 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.66 36.59 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.67 2.247 . . . . 74.43 112.377 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.478 ' H ' ' C ' ' A' ' 9' ' ' CYS . 4.3 mt -91.56 -34.43 14.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 74.03 110.982 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -99.95 -32.7 10.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.876 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.71 -99.11 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.72 -0.752 . . . . 74.54 112.515 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -22.68 66.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.881 0.372 . . . . 74.01 110.9 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.27 -32.73 68.32 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.812 -0.709 . . . . 63.33 112.464 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 73.03 112.469 -179.896 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 3.2 mttp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.788 0.328 . . . . 74.3 110.863 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -113.81 -43.36 3.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.414 . . . . 75.24 110.948 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.02 -51.05 45.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 74.45 110.864 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 6.2 mm -64.21 -12.02 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 75.11 111.185 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.58 -23.95 18.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 74.53 111.067 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.09 -37.55 10.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 74.41 111.202 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 11.9 pt -70.92 -36.93 66.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 73.41 111.086 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -76.23 -23.94 54.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.863 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -99.91 -5.73 27.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 75.41 110.889 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 13.4 tp -82.18 -36.42 27.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 74.24 110.852 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -6.6 41.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 75.02 110.81 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -76.02 -74.78 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 72.44 110.896 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -120.99 44.67 2.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 74.32 110.906 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.59 102.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 74.43 110.928 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 1.1 p -100.2 -92.05 0.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 71.31 111.185 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -123.67 -83.37 0.65 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 70.54 110.844 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -122.53 68.63 0.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 74.14 110.878 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.9 22.05 6.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 75.24 110.878 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -121.93 -51.81 2.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 74.13 110.894 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -98.87 -43.36 6.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 73.22 110.819 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.6 -1.29 33.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 75.52 110.913 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -122.98 -55.2 1.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 72.24 110.893 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -103.04 14.72 31.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 75.33 110.915 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.83 -22.67 5.27 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.633 -0.794 . . . . 71.32 112.44 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -79.14 -12.29 59.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.972 0.415 . . . . 74.4 110.94 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.65 -53.99 3.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 75.22 111.181 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.04 1.04 7.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 74.54 110.953 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 75.32 110.877 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 34.6 m . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.831 0.348 . . . . 74.33 111.095 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.2 73.16 0.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 75.42 111.091 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -114.29 -19.28 11.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 75.45 110.894 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.3 -11.07 82.23 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 73.04 112.463 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.4 ' HE1' HG21 ' B' ' 6' ' ' THR . 7.7 m0 -119.81 -8.78 9.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.868 0.366 . . . . 73.12 110.961 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.23 -46.71 2.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 74.53 110.9 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.11 -54.04 4.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 72.13 110.89 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 73.43 110.928 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.489 ' C ' ' H ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -120.25 117.6 31.77 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.614 0.721 . . . . 75.22 110.909 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 36.41 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.622 2.215 . . . . 74.43 112.369 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.489 ' H ' ' C ' ' A' ' 9' ' ' CYS . 79.6 mt -94.28 -34.02 13.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.03 110.854 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -106.83 -17.95 14.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 73.31 110.898 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.93 -101.94 0.33 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.772 -0.727 . . . . 74.54 112.47 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -28.36 65.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 74.01 110.827 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.21 -44.29 66.93 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 63.33 112.405 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 73.03 112.431 -179.824 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 2.9 mptm? . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.777 0.323 . . . . 74.3 110.867 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.41 -49.27 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.904 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -52.34 -48.2 65.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 74.45 110.895 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -73.1 0.64 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 75.11 111.128 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.16 -19.75 13.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 74.53 111.141 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.4 HG21 ' HE1' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -119.45 -9.6 9.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.408 . . . . 74.41 111.094 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.414 ' HA ' ' HB2' ' B' ' 11' ' ' PHE . 70.2 mt -106.57 -13.83 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 73.41 111.072 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.09 -1.11 9.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 74.41 110.869 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -87.13 -59.34 2.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 75.41 110.891 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -121.88 -6.12 9.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.959 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . 0.414 ' HB2' ' HA ' ' B' ' 7' ' ' ILE . 0.1 OUTLIER -79.61 -3.71 48.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 75.02 110.922 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.28 -7.48 52.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 72.44 110.82 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -120.09 -74.43 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 74.32 110.93 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -107.53 108.67 20.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 74.43 110.902 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 2.4 p -99.33 100.62 11.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 71.31 111.11 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -122.29 -100.81 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 70.54 110.867 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 16.3 ptt-85 -126.61 33.4 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 74.14 110.904 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 4.7 mt -93.56 26.22 3.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 75.24 110.946 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -112.64 -50.25 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 74.13 110.812 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.03 -36.93 3.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.22 110.863 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.83 -7.45 52.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 75.52 110.882 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -123.59 -57.76 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 72.24 110.891 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -99.17 15.14 26.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 75.33 110.856 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.88 -15.42 14.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 71.32 112.487 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -78.13 -15.35 58.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.005 0.431 . . . . 74.4 110.941 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.3 -53.26 6.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 75.22 111.181 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.28 0.02 8.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 74.54 110.96 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 75.32 110.894 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.79 0.329 . . . . 74.33 111.164 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.42 65.12 1.18 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.449 . . . . 75.42 111.166 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.63 -3.49 9.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 75.45 110.869 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.13 1.78 40.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 73.04 112.456 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -120.26 -23.04 6.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.86 0.362 . . . . 73.12 110.942 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.89 -58.03 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 74.53 110.866 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -59.63 -57.61 12.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 72.13 110.864 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -54.86 -75.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 73.43 110.899 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.478 ' C ' ' H ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -120.07 122.34 29.0 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.643 0.735 . . . . 75.22 110.855 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 37.3 0.24 Allowed 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.673 2.249 . . . . 74.43 112.343 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.478 ' H ' ' C ' ' A' ' 9' ' ' CYS . 52.3 mt -87.55 -35.25 18.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 74.03 110.908 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -111.62 -24.44 10.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 73.31 110.846 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.1 -109.8 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.753 -0.737 . . . . 74.54 112.529 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -59.51 -22.65 61.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 74.01 110.909 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -93.29 23.11 31.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 63.33 112.501 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.204 0 C-N-CA 120.714 -0.755 . . . . 73.03 112.453 -179.886 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.86 0.362 . . . . 74.3 110.883 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.68 -48.21 2.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 75.24 110.907 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -54.92 -47.43 74.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 74.45 110.795 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.89 -6.03 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 75.11 111.075 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.36 -33.48 10.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 74.53 111.123 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.41 -38.23 12.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 74.41 111.105 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 87.1 mt -67.44 -38.79 81.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 73.41 111.051 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.83 -3.62 42.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 74.41 110.871 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -117.8 -4.13 11.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 75.41 110.927 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.22 -18.68 7.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 74.24 110.896 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.29 -25.18 5.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 75.02 110.886 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -56.84 -22.92 40.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 72.44 110.933 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -105.33 -74.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 74.32 110.904 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 mp -116.79 -122.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 74.43 110.9 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.17 -90.9 0.57 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 71.31 111.093 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -123.51 83.88 2.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 70.54 110.906 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -120.87 -52.75 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.14 110.911 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 34.8 mt -64.55 -7.52 10.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 75.24 110.904 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -65.69 -50.0 66.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.866 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -117.42 -35.39 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 73.22 110.857 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -18.79 65.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 75.52 110.888 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -123.22 -53.4 1.83 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 72.24 110.881 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -91.19 12.42 20.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 75.33 110.919 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.03 -23.8 5.41 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.81 -0.71 . . . . 71.32 112.524 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.71 -11.89 60.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.967 0.413 . . . . 74.4 110.927 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.05 -53.84 3.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 75.22 111.147 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 pp -70.14 -1.39 9.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.284 -0.416 . . . . 74.54 110.931 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 75.32 110.859 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 18.0 m . . . . . 0 N--CA 1.46 0.031 0 CA-C-O 120.817 0.341 . . . . 74.33 111.088 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.2 73.04 0.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 75.42 111.132 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.75 -18.05 10.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.218 -0.446 . . . . 75.45 110.877 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.55 -9.88 85.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 73.04 112.41 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.1 m0 -118.5 -11.81 9.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.768 0.318 . . . . 73.12 110.926 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.43 -48.1 2.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 74.53 110.878 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -82.09 -50.42 9.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.408 . . . . 72.13 110.89 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -50.29 -70.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 73.43 110.947 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.475 ' C ' ' H ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -120.3 116.38 32.35 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.577 0.703 . . . . 75.22 110.914 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.76 37.52 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.661 2.24 . . . . 74.43 112.32 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.475 ' H ' ' C ' ' A' ' 9' ' ' CYS . 95.2 mt -112.06 -18.63 12.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 74.03 110.927 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.92 -20.19 12.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 73.31 110.857 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -120.12 -77.01 0.49 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 74.54 112.44 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.0 -57.59 7.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.807 0.337 . . . . 74.01 110.853 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -96.33 30.04 9.29 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 63.33 112.506 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 73.03 112.516 -179.903 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.831 0.348 . . . . 74.3 110.953 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.16 -49.35 2.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 75.24 110.958 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -53.54 -47.69 69.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 74.45 110.918 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.56 -4.25 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 75.11 111.11 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 88.5 m -99.45 -26.79 14.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 74.53 111.152 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.8 t -109.43 -8.92 14.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 74.41 111.198 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 22.6 mm -94.74 -31.97 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 73.41 111.15 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.49 -24.3 66.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.856 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -115.59 14.43 16.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 75.41 110.88 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 9.0 tp -120.44 -26.34 5.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 74.24 110.865 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.73 -7.68 11.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 75.02 110.991 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -44.77 -83.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 72.44 110.848 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -124.86 7.37 8.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.897 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mt -121.78 121.09 36.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.932 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.04 -94.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 71.31 111.129 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -125.1 80.81 1.91 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.203 -0.453 . . . . 70.54 110.829 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.423 ' C ' ' H ' ' B' ' 19' ' ' PHE . 0.0 OUTLIER -121.68 -64.94 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 74.14 110.895 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 8.8 mt -68.86 3.23 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 75.24 110.873 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.423 ' H ' ' C ' ' B' ' 17' ' ' ARG . 7.4 t80 -81.61 -48.25 11.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 74.13 110.875 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -116.63 -34.27 4.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 73.22 110.84 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 35.6 mmm-85 -70.98 -8.65 54.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 75.52 110.847 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -122.77 -61.77 1.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 72.24 110.924 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -95.41 16.13 17.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 75.33 110.859 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.34 -18.54 8.55 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.73 -0.748 . . . . 71.32 112.489 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -80.54 -11.55 59.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.95 0.405 . . . . 74.4 110.891 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.93 -54.26 3.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 75.22 111.122 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.3 pp -70.47 -0.99 9.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 74.54 110.892 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 75.32 110.917 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.6 p . . . . . 0 N--CA 1.458 -0.045 0 CA-C-O 120.888 0.375 . . . . 74.33 111.175 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.09 72.53 0.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 75.42 111.117 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -119.93 -13.57 9.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 75.45 110.875 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.64 -12.8 84.14 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.737 -0.744 . . . . 73.04 112.446 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 21.3 m0 -116.84 -12.85 10.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.775 0.321 . . . . 73.12 110.924 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.67 -46.93 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 74.53 110.902 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.79 -49.51 14.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 72.13 110.831 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -74.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 73.43 110.909 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.471 ' C ' ' H ' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -119.21 121.05 30.55 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.557 0.694 . . . . 75.22 110.941 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.87 37.27 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.669 2.246 . . . . 74.43 112.322 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.471 ' H ' ' C ' ' A' ' 9' ' ' CYS . 1.4 pp -110.54 -30.01 7.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 74.03 110.926 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -104.87 -17.61 14.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 73.31 110.855 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.1 -83.09 0.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.696 -0.764 . . . . 74.54 112.487 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -73.1 -24.99 60.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.859 0.361 . . . . 74.01 110.878 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.66 -66.39 2.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.811 -0.709 . . . . 63.33 112.468 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 C-N-CA 120.8 -0.714 . . . . 73.03 112.57 -179.904 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 6.2 mttt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.837 0.351 . . . . 74.3 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.8 -48.92 2.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 75.24 110.887 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -53.55 -47.7 69.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 74.45 110.943 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.22 -8.01 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 75.11 111.154 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.03 -27.01 14.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 74.53 111.144 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 2.9 t -108.5 -2.99 18.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 74.41 111.168 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 76.3 mt -105.97 -29.3 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 73.41 111.142 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -62.88 -36.42 83.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.907 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.6 16.62 25.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 75.41 110.853 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 tp -118.55 -32.12 4.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 74.24 110.916 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . 0.418 ' O ' ' C ' ' B' ' 12' ' ' ARG . 0.3 OUTLIER -56.58 -15.2 3.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 75.02 110.933 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' B' ' 11' ' ' PHE . 5.3 mtt180 -37.1 -73.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 72.44 110.838 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -120.84 -15.14 8.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.851 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 21.0 mt -116.44 110.69 18.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 74.43 110.934 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -48.39 -82.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 71.31 111.148 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -126.11 82.48 2.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 70.54 110.832 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.401 ' C ' ' H ' ' B' ' 19' ' ' PHE . 0.7 OUTLIER -121.0 -72.37 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 74.14 110.883 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 21.6 mt -58.56 -8.29 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 75.24 110.901 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.401 ' H ' ' C ' ' B' ' 17' ' ' ARG . 7.5 t80 -65.59 -51.85 56.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.888 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 24.7 mtp85 -115.08 -12.97 11.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 73.22 110.879 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 1.4 mmt-85 -90.22 -16.93 28.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 75.52 110.946 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -121.09 -46.98 2.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 72.24 110.888 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -105.92 15.26 26.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 75.33 110.879 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.11 -20.57 23.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.741 . . . . 71.32 112.468 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.06 -2.07 46.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.032 0.444 . . . . 74.4 110.933 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.1 m -109.25 -54.84 2.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 75.22 111.157 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 pp -70.73 -0.57 9.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 74.54 110.896 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 75.32 110.848 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.872 0.368 . . . . 74.33 111.104 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.83 66.52 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 75.42 111.069 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.6 -9.25 9.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 75.45 110.875 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.31 -8.5 74.58 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.755 -0.736 . . . . 73.04 112.465 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.1 m0 -123.64 -33.66 3.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.869 0.366 . . . . 73.12 110.91 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -54.74 7.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 74.53 110.877 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -65.12 -20.42 66.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 72.13 110.829 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -77.89 80.18 4.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 73.43 110.865 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.482 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -72.7 -59.87 2.21 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.579 0.704 . . . . 75.22 110.898 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.9 Cg_endo -69.7 -6.36 18.39 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.688 2.259 . . . . 74.43 112.343 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 15.0 mt -105.49 -61.07 1.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.409 . . . . 74.03 110.911 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -89.34 -42.06 11.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 73.31 110.873 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.52 -99.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.669 -0.777 . . . . 74.54 112.5 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -75.13 -16.51 60.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 74.01 110.917 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.21 -27.03 30.53 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 63.33 112.491 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 C-N-CA 120.75 -0.738 . . . . 73.03 112.561 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 1.8 mttt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.77 0.319 . . . . 74.3 110.962 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.8 -59.94 1.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 75.24 110.853 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -54.52 -44.1 72.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 74.45 110.915 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 tp -69.4 -7.16 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 75.11 111.152 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 24.0 m -95.74 -33.68 12.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 74.53 111.163 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.84 -37.3 11.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 74.41 111.131 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 97.7 mt -65.87 -36.02 76.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 73.41 111.134 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -79.51 -6.16 56.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.893 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -120.95 -0.13 10.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.893 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 pp -121.3 -18.05 7.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 74.24 110.962 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.72 -27.77 19.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 75.02 110.873 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -62.89 -62.71 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 72.44 110.89 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' B' ' 15' ' ' THR . 19.8 mttm -122.86 63.36 0.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 74.32 110.94 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.81 76.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.886 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' THR . . . . . 0.525 ' N ' ' O ' ' B' ' 13' ' ' LYS . 1.0 OUTLIER -126.12 -37.71 2.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 71.31 111.147 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -83.0 125.1 31.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 70.54 110.83 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.07 3.85 11.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 74.14 110.896 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 pp -49.85 -24.96 2.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 75.24 110.969 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -48.24 -58.82 4.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.849 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 24.6 ptt85 -107.76 -29.22 9.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 73.22 110.874 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -70.15 -18.36 63.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 75.52 110.81 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -122.86 -55.15 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 72.24 110.888 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -91.33 14.02 15.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 75.33 110.882 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.35 -22.56 5.79 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.72 -0.752 . . . . 71.32 112.458 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -79.05 -11.94 60.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.974 0.416 . . . . 74.4 110.911 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.1 m -97.41 -54.02 3.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 75.22 111.132 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -69.46 -1.53 8.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 74.54 110.916 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 3.8 ttt85 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 75.32 110.908 179.898 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.793 0.33 . . . . 74.33 111.159 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.48 66.17 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 75.42 111.091 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.7 -8.26 9.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 75.45 110.889 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.35 -5.52 67.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 73.04 112.515 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -116.64 -5.24 11.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.851 0.357 . . . . 73.12 110.86 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.52 -33.36 5.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 74.53 110.932 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -56.69 -23.29 41.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 72.13 110.875 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.22 109.94 20.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 73.43 110.911 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.635 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -71.16 -51.52 10.25 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.569 0.699 . . . . 75.22 110.841 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.7 Cg_endo -69.78 16.65 0.21 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.704 2.269 . . . . 74.43 112.344 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.491 ' H ' ' C ' ' A' ' 9' ' ' CYS . 12.2 mt -122.59 -77.44 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 74.03 110.906 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.27 -25.0 5.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 73.31 110.905 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.2 -83.21 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.68 -0.771 . . . . 74.54 112.574 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.56 -5.5 42.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 74.01 110.892 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -87.87 -44.83 5.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 63.33 112.432 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 C-N-CA 120.769 -0.729 . . . . 73.03 112.553 -179.914 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 14.4 mttt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.811 0.339 . . . . 74.3 110.885 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -121.34 -53.09 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 75.24 110.887 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -54.43 -46.28 73.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.089 -0.505 . . . . 74.45 110.884 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 pp -72.41 -2.69 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 75.11 111.192 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -104.21 -20.06 13.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 74.53 111.143 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.61 -5.31 10.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 74.41 111.144 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 62.4 mt -114.86 -11.97 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 73.41 111.118 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -123.91 -1.37 8.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 74.41 110.874 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -85.79 -61.51 1.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 75.41 110.88 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.82 -2.45 8.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.24 110.933 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -80.75 -1.02 41.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 75.02 110.847 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -67.27 -11.32 57.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.118 -0.492 . . . . 72.44 110.917 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.74 -75.31 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.833 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 mp -120.75 120.44 35.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 74.43 110.931 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 1.7 t -119.97 126.36 50.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 71.31 111.094 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -123.68 -98.8 0.43 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 70.54 110.872 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -125.46 -4.67 7.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.92 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 94.7 mt -49.95 -23.75 2.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 75.24 110.998 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -49.41 -63.55 1.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 74.13 110.901 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -104.11 -31.97 9.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 73.22 110.844 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -14.87 60.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 75.52 110.822 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -123.41 -60.37 1.48 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 72.24 110.904 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -89.69 13.66 13.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 75.33 110.924 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.42 -19.12 8.11 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.727 -0.749 . . . . 71.32 112.476 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -79.84 -13.21 59.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.971 0.415 . . . . 74.4 110.918 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.5 -54.23 3.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 75.22 111.092 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.9 0.94 7.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 74.54 110.919 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 24.3 ttt-85 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 75.32 110.846 179.915 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.853 0.358 . . . . 74.33 111.05 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.13 72.59 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 75.42 111.081 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.71 -13.78 9.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.415 . . . . 75.45 110.899 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.3 -13.15 83.9 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.778 -0.725 . . . . 73.04 112.458 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -118.85 -20.79 8.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.881 0.372 . . . . 73.12 110.919 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.18 -39.03 15.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 74.53 110.93 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -81.85 -17.17 48.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 72.13 110.864 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -81.65 108.61 15.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 73.43 110.884 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.54 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -93.11 -64.96 0.13 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.639 0.733 . . . . 75.22 110.923 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 53.2 Cg_endo -69.7 -13.3 34.63 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.748 2.299 . . . . 74.43 112.367 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.9 mt -83.74 -76.78 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 74.03 110.906 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -118.6 -12.62 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 73.31 110.919 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.79 -108.91 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.729 . . . . 74.54 112.479 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -74.68 -17.3 60.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 74.01 110.882 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.33 47.94 1.93 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.794 -0.717 . . . . 63.33 112.521 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.739 -0.744 . . . . 73.03 112.572 -179.94 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 12.5 mttt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.757 0.313 . . . . 74.3 110.912 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.47 -50.78 1.98 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 75.24 110.924 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -54.67 -44.64 73.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 74.45 110.819 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 1.4 pp -75.37 2.76 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 75.11 111.111 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 46.2 m -106.2 -24.97 12.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 74.53 111.166 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.23 -7.09 10.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 74.41 111.122 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 9.7 mt -122.42 4.3 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 73.41 111.142 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -117.92 -19.2 9.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.41 110.886 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -69.91 -63.84 1.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 75.41 110.858 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.76 -1.91 6.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 74.24 110.928 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 1.4 m-30 -115.0 24.5 11.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 75.02 110.901 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.15 -36.3 13.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 72.44 110.865 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -120.6 12.95 11.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 74.32 110.906 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -122.33 119.71 31.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 74.43 110.835 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -122.32 104.15 9.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 71.31 111.133 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -111.86 -125.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 70.54 110.865 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 10.6 ptt180 -124.11 -24.84 4.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 74.14 110.856 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 pp -48.63 -25.04 1.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 75.24 110.852 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -46.2 -64.62 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 74.13 110.871 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.42 -23.53 13.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 73.22 110.928 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -15.99 61.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 75.52 110.87 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.59 -56.67 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 72.24 110.868 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -92.94 13.26 21.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 75.33 110.856 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -108.8 -17.29 10.49 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 71.32 112.494 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -79.38 -13.84 59.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.94 0.4 . . . . 74.4 110.906 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.22 -53.63 4.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 75.22 111.163 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.46 0.31 8.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 74.54 110.879 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 75.32 110.85 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 48.6 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.75 0.31 . . . . 74.33 111.147 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.0 72.37 0.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 75.42 111.065 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.03 -6.72 9.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 75.45 110.89 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.77 -6.31 63.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.785 -0.721 . . . . 73.04 112.45 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 16.8 m0 -118.74 -26.37 6.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 73.12 110.936 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -104.41 -57.37 2.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 74.53 110.858 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.79 -48.31 63.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 72.13 110.833 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.16 -77.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 73.43 110.895 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.469 ' C ' ' H ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -121.04 118.77 30.12 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.634 0.73 . . . . 75.22 110.92 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 39.25 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.668 2.246 . . . . 74.43 112.308 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.469 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -98.89 -53.65 3.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.253 -0.43 . . . . 74.03 110.959 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -49.7 -33.63 16.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 73.31 110.872 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.74 -85.72 1.86 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.667 -0.778 . . . . 74.54 112.531 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -52.59 -45.52 66.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 74.01 110.922 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.46 -36.2 37.89 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.694 -0.765 . . . . 63.33 112.53 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 C-N-CA 120.733 -0.746 . . . . 73.03 112.49 -179.931 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 3.6 mptt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.769 0.319 . . . . 74.3 110.937 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . 0.471 ' O ' ' CG2' ' B' ' 5' ' ' THR . 0.9 OUTLIER -116.91 -44.61 2.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 75.24 110.952 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.486 ' HA ' HG23 ' B' ' 6' ' ' THR . 2.8 pt-20 -50.48 -24.13 2.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 74.45 110.886 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 2.4 pp -73.15 -8.79 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.105 -0.498 . . . . 75.11 111.103 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.476 HG21 HG21 ' B' ' 6' ' ' THR . 9.3 t -122.27 -12.89 8.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 74.53 111.054 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.486 HG23 ' HA ' ' B' ' 3' ' ' GLU . 0.5 OUTLIER -113.42 -8.11 13.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.311 -0.404 . . . . 74.41 111.141 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 19.8 mm -116.83 -28.71 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 73.41 111.187 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.28 -5.5 15.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 74.41 110.83 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -121.93 20.5 10.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 75.41 110.835 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -120.44 -21.8 6.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 74.24 110.92 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -46.76 -29.49 1.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 75.02 110.869 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 5.1 mmt85 -72.85 -48.18 39.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 72.44 110.835 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.524 ' O ' ' C ' ' B' ' 14' ' ' LEU . 29.1 ttmt -123.52 57.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 74.32 110.918 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.524 ' C ' ' O ' ' B' ' 13' ' ' LYS . 0.4 OUTLIER -27.77 106.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.845 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.8 121.4 26.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 71.31 111.146 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -55.68 -76.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 70.54 110.864 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -119.96 -8.88 9.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 74.14 110.885 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 76.4 mt -52.75 -22.74 5.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 75.24 110.946 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -49.36 -59.6 3.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 74.13 110.904 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.86 -28.22 10.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.052 -0.522 . . . . 73.22 110.837 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.42 -17.37 62.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 75.52 110.894 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -122.66 -54.89 1.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 72.24 110.841 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -92.84 13.88 19.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 75.33 110.886 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.91 -22.88 5.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 71.32 112.532 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -78.27 -12.86 60.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.915 0.388 . . . . 74.4 110.945 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.55 -54.42 3.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 75.22 111.114 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.32 1.41 7.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 74.54 110.902 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 75.32 110.8 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.862 0.363 . . . . 74.33 111.103 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.17 64.6 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 75.42 111.138 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -120.48 -7.91 9.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 75.45 110.87 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.79 -4.68 65.16 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 73.04 112.5 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -116.66 -4.3 11.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.784 0.326 . . . . 73.12 110.885 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.92 -34.89 4.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 74.53 110.886 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -51.71 -27.77 12.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 72.13 110.869 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -109.6 113.72 26.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 73.43 110.891 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.601 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 1.8 m -71.35 -53.88 7.46 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.565 0.698 . . . . 75.22 110.859 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.8 Cg_endo -69.72 21.4 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.698 2.265 . . . . 74.43 112.337 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.52 ' H ' ' C ' ' A' ' 9' ' ' CYS . 8.6 mt -122.05 -77.81 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 74.03 110.951 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.23 -20.51 7.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.866 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.72 -76.79 0.21 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.702 -0.761 . . . . 74.54 112.476 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -90.72 -16.42 28.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.348 . . . . 74.01 110.885 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.53 -29.89 63.06 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 63.33 112.495 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.743 . . . . 73.03 112.506 -179.918 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.782 0.325 . . . . 74.3 110.874 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -121.07 -54.97 1.99 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 75.24 110.972 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.23 -47.29 69.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.121 -0.49 . . . . 74.45 110.89 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.64 -10.87 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 75.11 111.117 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.19 -20.43 19.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 74.53 111.134 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -116.7 -6.6 11.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.449 . . . . 74.41 111.13 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 84.9 mt -110.52 -13.64 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 73.41 111.118 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.48 -1.38 9.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.87 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -86.23 -59.19 2.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 75.41 110.84 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.11 -6.0 8.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.44 . . . . 74.24 110.951 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -82.95 -0.3 47.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 75.02 110.879 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -61.65 -17.65 56.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 72.44 110.888 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.48 -74.58 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 74.32 110.94 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 19.9 mt -120.2 115.94 24.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 74.43 110.939 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 2.9 p -87.66 101.98 14.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 71.31 111.113 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -97.68 -122.5 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 70.54 110.921 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.86 -2.18 8.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 74.14 110.879 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 19.8 mt -49.6 -24.52 2.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 75.24 110.942 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -47.96 -61.68 1.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 74.13 110.889 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.4 ' HA ' ' HA3' ' B' ' 24' ' ' GLY . 0.1 OUTLIER -109.23 -30.9 7.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 73.22 110.888 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.5 -16.99 64.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 75.52 110.825 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -123.91 -57.75 1.6 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.249 -0.432 . . . . 72.24 110.919 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -90.23 12.85 16.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 75.33 110.961 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.4 ' HA3' ' HA ' ' B' ' 20' ' ' ARG . . . -106.6 -5.28 36.61 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.76 -0.733 . . . . 71.32 112.528 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.8 -3.45 48.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.982 0.42 . . . . 74.4 110.952 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.76 -52.38 4.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 75.22 111.146 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.462 HD11 ' N ' ' B' ' 28' ' ' ARG . 0.0 OUTLIER -69.27 -1.65 8.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 74.54 110.891 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.462 ' N ' HD11 ' B' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 75.32 110.853 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 29.0 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.798 0.332 . . . . 74.33 111.096 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.38 74.05 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 75.42 111.086 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -111.42 -21.66 11.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 75.45 110.874 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.17 -10.08 84.2 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 73.04 112.433 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -118.0 -14.61 9.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.848 0.356 . . . . 73.12 110.963 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -120.46 -54.26 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 74.53 110.915 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -59.62 -54.84 41.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 72.13 110.834 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -76.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 73.43 110.877 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.458 ' C ' ' H ' ' A' ' 11' ' ' LEU . 18.1 t -121.15 114.92 31.83 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 121.594 0.712 . . . . 75.22 110.876 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 38.88 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.624 2.216 . . . . 74.43 112.348 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.59 HD12 ' N ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -103.39 -6.51 21.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 74.03 110.948 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.59 ' N ' HD12 ' A' ' 11' ' ' LEU . 2.0 t80 -120.58 -17.63 8.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 73.31 110.979 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.53 -65.38 1.62 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 74.54 112.535 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.5 pttp -69.22 -30.09 68.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.709 0.29 . . . . 74.01 110.909 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -76.64 -80.11 0.63 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.707 -0.759 . . . . 63.33 112.506 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.692 -0.766 . . . . 73.03 112.517 -179.923 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.814 0.34 . . . . 74.3 110.931 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.9 -54.07 2.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 75.24 110.899 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -52.66 -46.99 67.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 74.45 110.837 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 3.1 mp -69.75 -4.74 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 75.11 111.166 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 92.4 m -100.23 -21.49 15.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 74.53 111.175 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.2 t -121.46 -0.4 9.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 74.41 111.114 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.407 ' HA ' ' HB2' ' B' ' 11' ' ' PHE . 1.3 tp -118.59 -14.18 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 73.41 111.084 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.61 6.26 7.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.85 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -99.74 -55.23 2.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 75.41 110.917 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -120.47 -6.27 9.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 74.24 110.937 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' PHE . . . . . 0.407 ' HB2' ' HA ' ' B' ' 7' ' ' ILE . 0.1 OUTLIER -78.6 1.05 23.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 75.02 110.94 179.886 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 17.0 mtt-85 -48.12 -71.14 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 72.44 110.868 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -121.64 -3.18 9.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 74.32 110.926 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mt -120.33 115.02 22.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 74.43 110.889 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.34 104.12 15.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 71.31 111.154 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -105.24 123.77 48.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 70.54 110.853 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -12.2 44.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 74.14 110.861 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.87 -23.81 1.23 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 75.24 110.869 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -50.63 -61.59 2.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.943 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -104.3 -13.06 16.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 73.22 110.841 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.96 -22.65 27.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 75.52 110.861 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -123.12 -43.3 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 72.24 110.913 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -102.89 13.13 35.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 75.33 110.845 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.23 -16.78 62.02 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.748 -0.739 . . . . 71.32 112.467 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -59.96 -32.7 71.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.0 0.429 . . . . 74.4 110.971 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -91.65 -53.2 4.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 75.22 111.101 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.31 -1.8 7.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 74.54 110.9 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 75.32 110.865 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.792 0.33 . . . . 74.4 111.072 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.98 -4.09 9.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 75.45 110.904 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.25 -1.36 55.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 70.31 112.511 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.417 ' CD1' ' HB ' ' B' ' 5' ' ' THR . 19.9 m0 -116.43 -10.36 11.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.826 0.346 . . . . 73.12 110.935 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.59 -44.83 2.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 74.2 110.926 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -73.32 -49.92 24.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 72.13 110.879 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -77.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 63.32 110.89 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.441 ' C ' ' H ' ' A' ' 11' ' ' LEU . 67.4 m -120.66 122.45 28.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.585 0.707 . . . . 75.22 110.857 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 36.83 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.731 2.288 . . . . 74.31 112.348 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.517 HD13 ' HD2' ' B' ' 1' ' ' LYS . 25.3 mt -90.52 -52.02 5.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 64.02 110.893 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -82.74 -14.21 54.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 65.34 110.887 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -104.13 -87.5 2.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.773 -0.727 . . . . 74.54 112.459 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.35 -50.02 52.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.368 . . . . 62.33 110.902 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.48 -35.35 68.32 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 62.31 112.453 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 73.03 112.496 -179.921 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' LYS . . . . . 0.517 ' HD2' HD13 ' A' ' 11' ' ' LEU . 6.9 mtmm . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.826 0.346 . . . . 74.3 110.869 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.24 -55.2 2.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 75.24 110.906 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -53.85 -45.14 70.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 74.41 110.895 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.486 HD12 ' O ' ' B' ' 4' ' ' ILE . 1.7 pp -73.22 0.38 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 73.21 111.142 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.417 ' HB ' ' CD1' ' A' ' 5' ' ' TRP . 0.3 OUTLIER -103.25 -25.94 13.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 65.03 111.134 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.0 t -117.46 -3.78 11.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 74.41 111.131 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.69 HD11 ' N ' ' B' ' 19' ' ' PHE . 23.0 mm -121.66 -1.82 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 73.41 111.13 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -116.35 -15.5 10.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 74.41 110.899 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -72.93 -61.79 1.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 75.41 110.899 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -124.37 -5.05 7.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 74.24 110.943 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' PHE . . . . . 0.446 ' HA ' ' HB2' ' B' ' 14' ' ' LEU . 0.6 OUTLIER -110.37 21.79 16.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 72.21 110.816 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -50.16 -33.95 20.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 72.44 110.843 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.457 ' O ' HD22 ' B' ' 14' ' ' LEU . 1.3 ttmt -119.58 24.57 10.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 72.55 110.902 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.457 HD22 ' O ' ' B' ' 13' ' ' LYS . 4.2 mm? -122.76 123.16 40.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 63.3 110.923 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' THR . . . . . 0.439 ' C ' ' O ' ' B' ' 14' ' ' LEU . 0.1 OUTLIER -34.05 122.65 0.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 71.31 111.156 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.423 ' HA ' HD12 ' B' ' 7' ' ' ILE . 30.3 p-80 -48.13 97.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 70.54 110.841 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.9 -50.42 1.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 74.14 110.859 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 16.5 mt -57.36 -14.77 5.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 72.32 110.883 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.69 ' N ' HD11 ' B' ' 7' ' ' ILE . 5.8 t80 -55.18 -53.04 60.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 74.13 110.881 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.07 -15.98 11.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 73.22 110.851 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 10.2 mmm-85 -86.68 -17.61 33.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 74.1 110.874 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -121.5 -47.44 2.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 72.24 110.866 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -102.49 13.62 34.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 73.21 110.877 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.2 -20.06 14.87 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.791 -0.719 . . . . 71.12 112.525 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.85 -15.81 61.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.935 0.397 . . . . 64.11 110.948 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.4 HG22 ' N ' ' B' ' 27' ' ' LEU . 1.0 OUTLIER -93.83 -54.54 3.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 75.22 111.128 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.4 ' N ' HG22 ' B' ' 26' ' ' THR . 0.4 OUTLIER -71.58 0.51 8.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 71.11 110.96 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 65.53 110.851 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.791 0.329 . . . . 74.4 111.16 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -120.48 -17.4 8.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 75.45 110.908 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.6 -17.64 73.05 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.744 -0.741 . . . . 70.31 112.481 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.507 ' HA ' HG21 ' B' ' 5' ' ' THR . 3.9 m0 -124.48 -2.86 7.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.882 0.373 . . . . 73.12 110.95 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.22 -41.92 2.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 74.2 110.922 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.34 -50.41 14.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 72.13 110.854 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -79.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 63.32 110.931 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.531 ' HB2' HG23 ' B' ' 5' ' ' THR . 13.2 m -121.15 121.67 28.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 75.22 110.922 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.66 38.36 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.708 2.272 . . . . 74.31 112.375 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.433 ' H ' ' C ' ' A' ' 9' ' ' CYS . 4.7 mt -78.87 -60.24 2.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 64.02 110.909 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.439 ' HB3' ' HB3' ' A' ' 5' ' ' TRP . 68.9 t80 -94.05 -33.29 13.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 65.34 110.92 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.31 -76.95 0.39 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 74.54 112.465 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -78.13 -24.1 47.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.341 . . . . 62.33 110.919 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.24 -50.0 4.48 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.747 -0.74 . . . . 62.31 112.517 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.8 -0.714 . . . . 73.03 112.445 -179.903 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.761 0.315 . . . . 74.3 110.896 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 2' ' ' TYR . . . . . 0.757 ' O ' HG22 ' B' ' 6' ' ' THR . 8.1 p90 -50.16 -32.26 15.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 75.24 110.929 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.86 -54.85 7.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.031 -0.531 . . . . 74.41 110.878 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 3.1 mp -61.75 -15.53 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 73.21 111.108 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.531 HG23 ' HB2' ' A' ' 9' ' ' CYS . 0.2 OUTLIER -96.01 -22.38 17.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 65.03 111.126 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.757 HG22 ' O ' ' B' ' 2' ' ' TYR . 0.2 OUTLIER -112.67 1.49 15.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 74.41 111.167 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.609 ' HA ' HD22 ' B' ' 10' ' ' LEU . 29.6 mm -112.96 -26.14 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 73.41 111.063 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.85 -7.99 16.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.847 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -120.06 17.09 12.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 75.41 110.959 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.645 HD13 ' O ' ' B' ' 6' ' ' THR . 0.8 OUTLIER -116.51 -18.78 10.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 74.24 110.945 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 11' ' ' PHE . . . . . 0.551 ' N ' HD23 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -77.08 -9.18 58.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 72.21 110.92 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 8.8 mtt-85 -107.06 -36.15 6.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 72.44 110.899 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -121.35 33.03 5.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 72.55 110.928 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.79 -29.61 3.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 63.3 110.858 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 8.8 t -50.48 -33.96 23.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 71.31 111.174 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -71.12 121.44 18.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 70.54 110.868 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.63 32.63 2.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 74.14 110.85 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 5.6 mt -119.27 20.51 12.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.93 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.405 ' CE1' ' HB ' ' B' ' 6' ' ' THR . 0.1 OUTLIER -120.76 -41.89 2.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 74.13 110.928 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 3.3 mmt85 -106.22 -32.0 8.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 73.22 110.896 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -90.91 -10.57 42.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 74.1 110.906 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -120.88 -42.9 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 72.24 110.954 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.577 ' O ' HD23 ' B' ' 27' ' ' LEU . 16.3 m-85 -104.54 11.0 34.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 73.21 110.892 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.99 -32.84 2.52 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.705 -0.759 . . . . 71.12 112.551 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.01 -11.58 60.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.884 0.374 . . . . 64.11 110.849 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -91.04 -53.6 4.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 75.22 111.167 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.729 HD22 ' CD2' ' B' ' 2' ' ' TYR . 2.8 pp -69.03 -2.52 10.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 71.11 110.931 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 65.53 110.856 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.744 0.307 . . . . 74.4 111.158 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -118.39 -15.0 9.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 75.45 110.881 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.85 -13.27 83.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 70.31 112.531 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.684 ' CD1' HG23 ' B' ' 6' ' ' THR . 38.3 m0 -117.29 -13.37 10.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.888 0.375 . . . . 73.12 110.926 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.01 -45.18 3.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 74.2 110.936 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.89 -50.94 8.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 72.13 110.914 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -59.08 -76.24 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 63.32 110.864 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.437 ' C ' ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -120.3 118.84 31.0 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.543 0.687 . . . . 75.22 110.873 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 37.1 0.24 Allowed 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.692 2.261 . . . . 74.31 112.348 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.437 ' H ' ' C ' ' A' ' 9' ' ' CYS . 3.7 mt -89.14 -34.91 16.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.28 -0.418 . . . . 64.02 110.923 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -108.08 -26.56 10.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 65.34 110.871 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.04 -94.1 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 74.54 112.468 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.21 -24.35 63.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.811 0.339 . . . . 62.33 110.967 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -106.44 33.51 6.4 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.701 -0.761 . . . . 62.31 112.467 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 73.03 112.484 -179.943 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 21.8 mttp . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.773 0.321 . . . . 74.3 110.94 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -119.98 -52.58 2.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 75.24 110.858 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.466 ' HB2' HD12 ' B' ' 7' ' ' ILE . 9.4 pt-20 -54.67 -45.85 73.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 74.41 110.831 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 1.5 pp -68.8 -6.66 6.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 73.21 111.111 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 94.0 m -101.65 -24.61 14.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 65.03 111.153 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.684 HG23 ' CD1' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -109.08 -4.75 16.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 74.41 111.138 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.466 HD12 ' HB2' ' B' ' 3' ' ' GLU . 85.8 mt -106.96 -36.4 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 73.41 111.166 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -63.89 -33.39 75.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 74.41 110.837 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -106.31 20.34 19.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 75.41 110.875 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.631 HD22 ' HB2' ' B' ' 19' ' ' PHE . 9.7 tp -119.12 -28.41 5.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 74.24 110.992 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -53.88 -24.23 15.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 72.21 110.856 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -69.5 -50.86 41.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 72.44 110.829 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -123.59 62.11 1.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 72.55 110.93 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' B' ' 15' ' ' THR . 3.2 pp -47.48 -24.8 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 63.3 110.943 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' THR . . . . . 0.42 HG23 ' N ' ' B' ' 16' ' ' HIS . 2.6 t -36.66 -46.75 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 71.31 111.177 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.42 ' N ' HG23 ' B' ' 15' ' ' THR . 13.3 p80 -89.22 124.86 34.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 70.54 110.833 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 67.6 mmt-85 -91.36 25.85 2.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.881 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.556 HD12 ' N ' ' B' ' 19' ' ' PHE . 4.6 pp -47.83 -26.38 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 72.32 110.9 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.631 ' HB2' HD22 ' B' ' 10' ' ' LEU . 3.4 t80 -53.44 -52.22 60.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 74.13 110.876 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.438 ' HA ' ' HA3' ' B' ' 24' ' ' GLY . 10.8 ptm180 -107.8 -40.46 5.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 73.22 110.931 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 10.8 mmt-85 -61.54 -17.8 56.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 74.1 110.87 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.4 ' HB2' ' HA ' ' B' ' 18' ' ' LEU . 18.7 t30 -123.94 -57.04 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 72.24 110.863 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -90.11 15.68 9.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 73.21 110.859 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.438 ' HA3' ' HA ' ' B' ' 20' ' ' ARG . . . -112.31 -22.22 5.92 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.772 -0.728 . . . . 71.12 112.457 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -79.05 -12.35 60.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.885 0.374 . . . . 64.11 110.855 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -101.39 -54.08 2.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 75.22 111.121 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.404 HD12 ' HH2' ' A' ' 5' ' ' TRP . 0.7 OUTLIER -72.16 1.35 7.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 71.11 110.93 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 65.53 110.853 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.773 0.32 . . . . 74.4 111.121 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.44 -16.14 11.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 75.45 110.853 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.33 -5.68 84.92 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 70.31 112.508 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -119.05 -16.79 9.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 73.12 110.927 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -121.12 -54.35 2.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 74.2 110.905 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -54.95 40.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 72.13 110.832 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -59.48 -77.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 63.32 110.943 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.451 ' C ' ' H ' ' A' ' 11' ' ' LEU . 6.3 t -120.81 120.83 29.27 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.587 0.708 . . . . 75.22 110.894 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 37.01 0.24 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.698 2.266 . . . . 74.31 112.309 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.578 ' HB2' HG23 ' B' ' 5' ' ' THR . 13.2 mt -85.29 -38.76 18.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.442 . . . . 64.02 110.945 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -103.37 -25.58 13.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 65.34 110.893 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.28 -106.05 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.767 -0.73 . . . . 74.54 112.428 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 pttp -56.08 -25.23 44.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 62.33 110.891 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -99.86 38.9 2.92 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.73 -0.748 . . . . 62.31 112.512 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 73.03 112.498 -179.914 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.77 0.319 . . . . 74.3 110.879 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' TYR . . . . . 0.66 ' O ' HG22 ' B' ' 6' ' ' THR . 9.1 p90 -50.98 -40.6 58.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 75.24 110.951 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.723 ' HB2' HD12 ' B' ' 7' ' ' ILE . 15.8 pt-20 -50.94 -47.42 61.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 74.41 110.887 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.505 ' O ' HG22 ' B' ' 4' ' ' ILE . 3.0 mp -70.34 -5.02 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 73.21 111.11 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.578 HG23 ' HB2' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -103.8 -16.75 15.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 65.03 111.167 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.66 HG22 ' O ' ' B' ' 2' ' ' TYR . 0.1 OUTLIER -122.77 -2.6 8.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 74.41 111.182 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.723 HD12 ' HB2' ' B' ' 3' ' ' GLU . 60.5 mt -118.61 -14.2 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 73.41 111.133 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -124.46 1.51 8.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 74.41 110.858 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ASN . . . . . 0.523 ' HB3' HD23 ' B' ' 10' ' ' LEU . 8.0 m-20 -92.02 -60.17 1.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 75.41 110.951 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.863 HD12 HD13 ' B' ' 18' ' ' LEU . 0.1 OUTLIER -121.24 -1.48 9.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 74.24 110.915 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 11' ' ' PHE . . . . . 0.667 ' CD1' HG22 ' B' ' 15' ' ' THR . 0.5 OUTLIER -84.26 -11.83 55.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 72.21 110.87 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -75.03 -6.41 49.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 72.44 110.837 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.413 ' C ' HD12 ' B' ' 14' ' ' LEU . 0.3 OUTLIER -120.29 -72.17 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 72.55 110.944 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.413 HD12 ' C ' ' B' ' 13' ' ' LYS . 10.9 mp -120.81 117.85 28.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 63.3 110.868 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' THR . . . . . 0.667 HG22 ' CD1' ' B' ' 11' ' ' PHE . 1.7 p -95.71 101.14 12.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 71.31 111.13 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -117.36 -120.22 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 70.54 110.87 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.65 55.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 74.14 110.878 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.863 HD13 HD12 ' B' ' 10' ' ' LEU . 1.6 mt -116.03 21.9 13.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 72.32 110.884 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -113.65 -47.97 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 74.13 110.9 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 21.3 mtt-85 -114.91 -32.01 5.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.493 . . . . 73.22 110.923 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -80.11 -9.62 59.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 74.1 110.876 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -121.89 -53.47 1.96 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 72.24 110.891 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -101.88 15.25 29.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 73.21 110.901 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.59 -28.17 3.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 71.12 112.408 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.45 -12.06 59.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.947 0.403 . . . . 64.11 110.866 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.406 HG22 HD22 ' B' ' 27' ' ' LEU . 1.1 m -100.54 -53.84 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 75.22 111.204 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.406 HD22 HG22 ' B' ' 26' ' ' THR . 2.7 mm? -69.45 -1.5 8.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 71.11 110.942 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 65.53 110.861 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.788 0.327 . . . . 74.4 111.139 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.64 -17.01 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 75.45 110.868 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.97 -10.87 85.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 70.31 112.426 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.43 ' HE1' HG22 ' B' ' 6' ' ' THR . 15.0 m0 -118.22 -7.65 10.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.773 0.321 . . . . 73.12 110.9 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.54 -46.07 2.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 74.2 110.906 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.18 -55.18 3.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 72.13 110.927 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -49.6 -75.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 63.32 110.882 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.439 ' HB3' HD12 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -120.43 115.64 32.51 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.596 0.712 . . . . 75.22 110.887 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.66 36.59 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.67 2.247 . . . . 74.31 112.377 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.578 HD13 ' HB ' ' B' ' 4' ' ' ILE . 4.3 mt -91.56 -34.43 14.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 64.02 110.982 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -99.95 -32.7 10.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 65.34 110.876 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.71 -99.11 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.72 -0.752 . . . . 74.54 112.515 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -22.68 66.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.881 0.372 . . . . 62.33 110.9 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.27 -32.73 68.32 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.812 -0.709 . . . . 62.31 112.464 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 73.03 112.469 -179.896 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 3.2 mttp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.788 0.328 . . . . 74.3 110.863 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' TYR . . . . . 0.533 ' O ' HG23 ' B' ' 6' ' ' THR . 2.6 p90 -113.81 -43.36 3.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.414 . . . . 75.24 110.948 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.531 ' O ' HG23 ' B' ' 7' ' ' ILE . 0.7 OUTLIER -50.02 -51.05 45.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 74.41 110.864 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.578 ' HB ' HD13 ' A' ' 11' ' ' LEU . 6.2 mm -64.21 -12.02 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 73.21 111.185 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.58 -23.95 18.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 65.03 111.067 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.533 HG23 ' O ' ' B' ' 2' ' ' TYR . 0.1 OUTLIER -97.09 -37.55 10.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 74.41 111.202 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.531 HG23 ' O ' ' B' ' 3' ' ' GLU . 11.9 pt -70.92 -36.93 66.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 73.41 111.086 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -76.23 -23.94 54.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.863 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -99.91 -5.73 27.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 75.41 110.889 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.652 HD13 HD11 ' B' ' 18' ' ' LEU . 13.4 tp -82.18 -36.42 27.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 74.24 110.852 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -6.6 41.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 72.21 110.81 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -76.02 -74.78 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 72.44 110.896 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -120.99 44.67 2.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 72.55 110.906 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.534 ' HA ' HD21 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -44.59 102.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 63.3 110.928 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 1.1 p -100.2 -92.05 0.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 71.31 111.185 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -123.67 -83.37 0.65 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 70.54 110.844 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -122.53 68.63 0.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 74.14 110.878 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.652 HD11 HD13 ' B' ' 10' ' ' LEU . 0.6 OUTLIER -94.9 22.05 6.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 72.32 110.878 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.445 ' CE1' HG21 ' B' ' 6' ' ' THR . 4.5 t80 -121.93 -51.81 2.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 74.13 110.894 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -98.87 -43.36 6.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 73.22 110.819 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.6 -1.29 33.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 74.1 110.913 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -122.98 -55.2 1.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 72.24 110.893 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -103.04 14.72 31.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 73.21 110.915 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.83 -22.67 5.27 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.633 -0.794 . . . . 71.12 112.44 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -79.14 -12.29 59.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.972 0.415 . . . . 64.11 110.94 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.65 -53.99 3.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 75.22 111.181 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.04 1.04 7.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 71.11 110.953 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 65.53 110.877 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.749 0.309 . . . . 74.4 111.091 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -114.29 -19.28 11.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 75.45 110.894 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.3 -11.07 82.23 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 70.31 112.463 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 7.7 m0 -119.81 -8.78 9.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.868 0.366 . . . . 73.12 110.961 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.23 -46.71 2.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 74.2 110.9 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.11 -54.04 4.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 72.13 110.89 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 63.32 110.928 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.453 ' C ' ' H ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -120.25 117.6 31.77 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.614 0.721 . . . . 75.22 110.909 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 36.41 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.622 2.215 . . . . 74.31 112.369 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.627 HD13 ' HG2' ' B' ' 1' ' ' LYS . 79.6 mt -94.28 -34.02 13.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 64.02 110.854 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -106.83 -17.95 14.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 65.34 110.898 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.93 -101.94 0.33 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.772 -0.727 . . . . 74.54 112.47 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -28.36 65.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 62.33 110.827 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.21 -44.29 66.93 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 62.31 112.405 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 73.03 112.431 -179.824 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' LYS . . . . . 0.627 ' HG2' HD13 ' A' ' 11' ' ' LEU . 2.9 mptm? . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.777 0.323 . . . . 74.3 110.867 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 2' ' ' TYR . . . . . 0.71 ' O ' HG22 ' B' ' 6' ' ' THR . 0.1 OUTLIER -120.41 -49.27 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.904 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.668 ' HB2' HD12 ' B' ' 7' ' ' ILE . 12.4 pt-20 -52.34 -48.2 65.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 74.41 110.895 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -73.1 0.64 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 73.21 111.128 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.16 -19.75 13.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 65.03 111.141 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.71 HG22 ' O ' ' B' ' 2' ' ' TYR . 0.0 OUTLIER -119.45 -9.6 9.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.408 . . . . 74.41 111.094 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.668 HD12 ' HB2' ' B' ' 3' ' ' GLU . 70.2 mt -106.57 -13.83 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 73.41 111.072 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.09 -1.11 9.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 74.41 110.869 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -87.13 -59.34 2.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 75.41 110.891 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.498 ' H ' HD23 ' B' ' 10' ' ' LEU . 1.9 pt? -121.88 -6.12 9.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.959 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' PHE . . . . . 0.79 ' CD1' HG22 ' B' ' 15' ' ' THR . 0.1 OUTLIER -79.61 -3.71 48.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 72.21 110.922 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.28 -7.48 52.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 72.44 110.82 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -120.09 -74.43 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 72.55 110.93 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -107.53 108.67 20.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 63.3 110.902 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' THR . . . . . 0.79 HG22 ' CD1' ' B' ' 11' ' ' PHE . 2.4 p -99.33 100.62 11.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 71.31 111.11 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -122.29 -100.81 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 70.54 110.867 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 16.3 ptt-85 -126.61 33.4 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 74.14 110.904 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.468 HD13 HD11 ' B' ' 10' ' ' LEU . 4.7 mt -93.56 26.22 3.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 72.32 110.946 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.567 ' CZ ' HD11 ' B' ' 7' ' ' ILE . 5.6 t80 -112.64 -50.25 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 74.13 110.812 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.03 -36.93 3.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.22 110.863 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.83 -7.45 52.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 74.1 110.882 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -123.59 -57.76 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 72.24 110.891 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -99.17 15.14 26.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 73.21 110.856 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.88 -15.42 14.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 71.12 112.487 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -78.13 -15.35 58.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.005 0.431 . . . . 64.11 110.941 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.424 HG22 ' N ' ' B' ' 27' ' ' LEU . 1.0 OUTLIER -80.3 -53.26 6.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 75.22 111.181 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.424 ' N ' HG22 ' B' ' 26' ' ' THR . 0.5 OUTLIER -71.28 0.02 8.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 71.11 110.96 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 65.53 110.894 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.82 0.343 . . . . 74.4 111.166 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.63 -3.49 9.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 75.45 110.869 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.13 1.78 40.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 70.31 112.456 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.473 ' CD1' HG23 ' B' ' 6' ' ' THR . 6.4 m0 -120.26 -23.04 6.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.86 0.362 . . . . 73.12 110.942 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.89 -58.03 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 74.2 110.866 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -59.63 -57.61 12.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 72.13 110.864 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -54.86 -75.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 63.32 110.899 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.477 ' HB3' HG23 ' B' ' 5' ' ' THR . 0.1 OUTLIER -120.07 122.34 29.0 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.643 0.735 . . . . 75.22 110.855 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 37.3 0.24 Allowed 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.673 2.249 . . . . 74.31 112.343 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.45 ' H ' ' C ' ' A' ' 9' ' ' CYS . 52.3 mt -87.55 -35.25 18.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 64.02 110.908 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -111.62 -24.44 10.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 65.34 110.846 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.1 -109.8 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.753 -0.737 . . . . 74.54 112.529 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -59.51 -22.65 61.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 62.33 110.909 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -93.29 23.11 31.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 62.31 112.501 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.204 0 C-N-CA 120.714 -0.755 . . . . 73.03 112.453 -179.886 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.86 0.362 . . . . 74.3 110.883 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.68 -48.21 2.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 75.24 110.907 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -54.92 -47.43 74.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 74.41 110.795 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.89 -6.03 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 73.21 111.075 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.477 HG23 ' HB3' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -101.36 -33.48 10.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 65.03 111.123 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.473 HG23 ' CD1' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -92.41 -38.23 12.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 74.41 111.105 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 87.1 mt -67.44 -38.79 81.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 73.41 111.051 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.83 -3.62 42.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 74.41 110.871 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -117.8 -4.13 11.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 75.41 110.927 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.582 HD21 ' HA ' ' B' ' 16' ' ' HIS . 0.4 OUTLIER -120.22 -18.68 7.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 74.24 110.896 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.29 -25.18 5.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 72.21 110.886 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -56.84 -22.92 40.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 72.44 110.933 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -105.33 -74.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 72.55 110.904 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 mp -116.79 -122.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 63.3 110.9 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' THR . . . . . 0.498 ' O ' HD11 ' B' ' 10' ' ' LEU . 0.7 OUTLIER -121.17 -90.9 0.57 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 71.31 111.093 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.582 ' HA ' HD21 ' B' ' 10' ' ' LEU . 19.3 p-80 -123.51 83.88 2.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 70.54 110.906 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -120.87 -52.75 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.14 110.911 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 34.8 mt -64.55 -7.52 10.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 72.32 110.904 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -65.69 -50.0 66.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.866 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -117.42 -35.39 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 73.22 110.857 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -18.79 65.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 74.1 110.888 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -123.22 -53.4 1.83 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 72.24 110.881 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.695 ' O ' HD23 ' B' ' 27' ' ' LEU . 22.7 m-85 -91.19 12.42 20.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 73.21 110.919 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.03 -23.8 5.41 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.81 -0.71 . . . . 71.12 112.524 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.71 -11.89 60.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.967 0.413 . . . . 64.11 110.927 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.05 -53.84 3.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 75.22 111.147 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.695 HD23 ' O ' ' B' ' 23' ' ' PHE . 1.3 pp -70.14 -1.39 9.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.284 -0.416 . . . . 71.11 110.931 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 65.53 110.859 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.857 0.361 . . . . 74.4 111.132 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.75 -18.05 10.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.218 -0.446 . . . . 75.45 110.877 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.55 -9.88 85.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 70.31 112.41 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.1 m0 -118.5 -11.81 9.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.768 0.318 . . . . 73.12 110.926 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.43 -48.1 2.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 74.2 110.878 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -82.09 -50.42 9.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.408 . . . . 72.13 110.89 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -50.29 -70.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 63.32 110.947 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.431 ' C ' ' H ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -120.3 116.38 32.35 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.577 0.703 . . . . 75.22 110.914 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.76 37.52 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.661 2.24 . . . . 74.31 112.32 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.431 ' H ' ' C ' ' A' ' 9' ' ' CYS . 95.2 mt -112.06 -18.63 12.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 64.02 110.927 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.92 -20.19 12.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 65.34 110.857 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -120.12 -77.01 0.49 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 74.54 112.44 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.0 -57.59 7.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.807 0.337 . . . . 62.33 110.853 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -96.33 30.04 9.29 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 62.31 112.506 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 73.03 112.516 -179.903 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.831 0.348 . . . . 74.3 110.953 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' TYR . . . . . 0.426 ' O ' HG22 ' B' ' 6' ' ' THR . 0.1 OUTLIER -120.16 -49.35 2.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 75.24 110.958 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -53.54 -47.69 69.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 74.41 110.918 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.56 -4.25 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 73.21 111.11 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 88.5 m -99.45 -26.79 14.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 65.03 111.152 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.426 HG22 ' O ' ' B' ' 2' ' ' TYR . 1.8 t -109.43 -8.92 14.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 74.41 111.198 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.803 HD13 HD23 ' B' ' 10' ' ' LEU . 22.6 mm -94.74 -31.97 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 73.41 111.15 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.49 -24.3 66.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.856 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -115.59 14.43 16.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 75.41 110.88 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.803 HD23 HD13 ' B' ' 7' ' ' ILE . 9.0 tp -120.44 -26.34 5.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 74.24 110.865 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' PHE . . . . . 0.413 ' CD1' HG23 ' B' ' 7' ' ' ILE . 0.3 OUTLIER -64.73 -7.68 11.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 72.21 110.991 179.848 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -44.77 -83.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 72.44 110.848 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -124.86 7.37 8.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 72.55 110.897 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.482 ' HB2' HD12 ' B' ' 10' ' ' LEU . 3.2 mt -121.78 121.09 36.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 63.3 110.932 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.04 -94.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 71.31 111.129 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -125.1 80.81 1.91 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.203 -0.453 . . . . 70.54 110.829 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.68 -64.94 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 74.14 110.895 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.632 HD12 HD13 ' B' ' 10' ' ' LEU . 8.8 mt -68.86 3.23 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 72.32 110.873 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -81.61 -48.25 11.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 74.13 110.875 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -116.63 -34.27 4.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 73.22 110.84 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 35.6 mmm-85 -70.98 -8.65 54.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 74.1 110.847 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ASN . . . . . 0.411 ' CG ' HD23 ' B' ' 18' ' ' LEU . 3.7 m120 -122.77 -61.77 1.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 72.24 110.924 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -95.41 16.13 17.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 73.21 110.859 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.34 -18.54 8.55 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.73 -0.748 . . . . 71.12 112.489 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -80.54 -11.55 59.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.95 0.405 . . . . 64.11 110.891 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.4 HG22 ' N ' ' B' ' 27' ' ' LEU . 1.0 OUTLIER -94.93 -54.26 3.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 75.22 111.122 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.428 ' C ' HD12 ' B' ' 27' ' ' LEU . 4.3 pp -70.47 -0.99 9.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 71.11 110.892 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 65.53 110.917 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.776 0.322 . . . . 74.4 111.117 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -119.93 -13.57 9.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 75.45 110.875 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.64 -12.8 84.14 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.737 -0.744 . . . . 70.31 112.446 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.424 ' CZ2' ' HB2' ' B' ' 2' ' ' TYR . 21.3 m0 -116.84 -12.85 10.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.775 0.321 . . . . 73.12 110.924 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.67 -46.93 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 74.2 110.902 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.79 -49.51 14.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 72.13 110.831 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -74.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 63.32 110.909 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.642 ' SG ' HD23 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -119.21 121.05 30.55 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.557 0.694 . . . . 75.22 110.941 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.87 37.27 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.669 2.246 . . . . 74.31 112.322 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.642 HD23 ' SG ' ' A' ' 9' ' ' CYS . 1.4 pp -110.54 -30.01 7.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 64.02 110.926 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -104.87 -17.61 14.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 65.34 110.855 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.1 -83.09 0.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.696 -0.764 . . . . 74.54 112.487 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -73.1 -24.99 60.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.859 0.361 . . . . 62.33 110.878 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.66 -66.39 2.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.811 -0.709 . . . . 62.31 112.468 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 C-N-CA 120.8 -0.714 . . . . 73.03 112.57 -179.904 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 6.2 mttt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.837 0.351 . . . . 74.3 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' TYR . . . . . 0.424 ' HB2' ' CZ2' ' A' ' 5' ' ' TRP . 0.1 OUTLIER -120.8 -48.92 2.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 75.24 110.887 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.493 ' HB2' HD12 ' B' ' 7' ' ' ILE . 9.3 pt-20 -53.55 -47.7 69.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 74.41 110.943 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.22 -8.01 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 73.21 111.154 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.03 -27.01 14.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 65.03 111.144 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.419 HG22 ' O ' ' B' ' 2' ' ' TYR . 2.9 t -108.5 -2.99 18.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 74.41 111.168 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.493 HD12 ' HB2' ' B' ' 3' ' ' GLU . 76.3 mt -105.97 -29.3 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 73.41 111.142 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -62.88 -36.42 83.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.907 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.6 16.62 25.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 75.41 110.853 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.611 HD21 ' H ' ' B' ' 17' ' ' ARG . 2.3 tp -118.55 -32.12 4.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 74.24 110.916 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' PHE . . . . . 0.418 ' O ' ' C ' ' B' ' 12' ' ' ARG . 0.3 OUTLIER -56.58 -15.2 3.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 72.21 110.933 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' B' ' 11' ' ' PHE . 5.3 mtt180 -37.1 -73.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 72.44 110.838 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -120.84 -15.14 8.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 72.55 110.851 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.645 HD22 ' HG2' ' B' ' 17' ' ' ARG . 21.0 mt -116.44 110.69 18.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 63.3 110.934 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' THR . . . . . 0.565 HG23 ' H ' ' B' ' 16' ' ' HIS . 0.1 OUTLIER -48.39 -82.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 71.31 111.148 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.565 ' H ' HG23 ' B' ' 15' ' ' THR . 0.3 OUTLIER -126.11 82.48 2.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 70.54 110.832 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.645 ' HG2' HD22 ' B' ' 14' ' ' LEU . 0.7 OUTLIER -121.0 -72.37 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 74.14 110.883 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 21.6 mt -58.56 -8.29 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 72.32 110.901 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -65.59 -51.85 56.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.888 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 24.7 mtp85 -115.08 -12.97 11.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 73.22 110.879 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 1.4 mmt-85 -90.22 -16.93 28.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 74.1 110.946 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -121.09 -46.98 2.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 72.24 110.888 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' PHE . . . . . 0.615 ' O ' HD23 ' B' ' 27' ' ' LEU . 75.6 m-85 -105.92 15.26 26.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 73.21 110.879 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.11 -20.57 23.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.741 . . . . 71.12 112.468 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.06 -2.07 46.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.032 0.444 . . . . 64.11 110.933 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.407 HG22 ' N ' ' B' ' 27' ' ' LEU . 1.1 m -109.25 -54.84 2.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 75.22 111.157 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.615 HD23 ' O ' ' B' ' 23' ' ' PHE . 1.3 pp -70.73 -0.57 9.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 71.11 110.896 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 65.53 110.848 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.798 0.332 . . . . 74.4 111.069 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.6 -9.25 9.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 75.45 110.875 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.47 ' O ' HG22 ' B' ' 5' ' ' THR . . . -87.31 -8.5 74.58 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.755 -0.736 . . . . 70.31 112.465 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.78 ' CD1' HG23 ' B' ' 6' ' ' THR . 1.1 m0 -123.64 -33.66 3.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.869 0.366 . . . . 73.12 110.91 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -54.74 7.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 74.2 110.877 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -65.12 -20.42 66.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 72.13 110.829 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.776 ' HG3' HD12 ' A' ' 11' ' ' LEU . 3.4 mptp? -77.89 80.18 4.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 63.32 110.865 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.497 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -72.7 -59.87 2.21 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.579 0.704 . . . . 75.22 110.898 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.9 Cg_endo -69.7 -6.36 18.39 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.688 2.259 . . . . 74.31 112.343 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.776 HD12 ' HG3' ' A' ' 8' ' ' LYS . 15.0 mt -105.49 -61.07 1.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.409 . . . . 64.02 110.911 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.836 ' HB2' HG21 ' B' ' 5' ' ' THR . 25.8 t80 -89.34 -42.06 11.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 65.34 110.873 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.52 -99.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.669 -0.777 . . . . 74.54 112.5 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -75.13 -16.51 60.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 62.33 110.917 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.21 -27.03 30.53 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 62.31 112.491 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 C-N-CA 120.75 -0.738 . . . . 73.03 112.561 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 1.8 mttt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.77 0.319 . . . . 74.3 110.962 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.8 -59.94 1.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 75.24 110.853 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -54.52 -44.1 72.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 74.41 110.915 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 tp -69.4 -7.16 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 73.21 111.152 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.836 HG21 ' HB2' ' A' ' 12' ' ' PHE . 24.0 m -95.74 -33.68 12.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 65.03 111.163 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.78 HG23 ' CD1' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -94.84 -37.3 11.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 74.41 111.131 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 97.7 mt -65.87 -36.02 76.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 73.41 111.134 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -79.51 -6.16 56.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.893 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -120.95 -0.13 10.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.893 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.523 HD22 ' HB2' ' B' ' 19' ' ' PHE . 1.1 pp -121.3 -18.05 7.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 74.24 110.962 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.72 -27.77 19.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 72.21 110.873 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -62.89 -62.71 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 72.44 110.89 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' B' ' 15' ' ' THR . 19.8 mttm -122.86 63.36 0.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 72.55 110.94 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.81 76.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 63.3 110.886 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' THR . . . . . 0.525 ' N ' ' O ' ' B' ' 13' ' ' LYS . 1.0 OUTLIER -126.12 -37.71 2.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 71.31 111.147 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.424 ' HB3' HD23 ' B' ' 18' ' ' LEU . 95.6 m-70 -83.0 125.1 31.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 70.54 110.83 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.07 3.85 11.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 74.14 110.896 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.424 HD23 ' HB3' ' B' ' 16' ' ' HIS . 3.6 pp -49.85 -24.96 2.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 72.32 110.969 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.523 ' HB2' HD22 ' B' ' 10' ' ' LEU . 3.1 t80 -48.24 -58.82 4.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.849 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.408 ' HA ' ' HA3' ' B' ' 24' ' ' GLY . 24.6 ptt85 -107.76 -29.22 9.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 73.22 110.874 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -70.15 -18.36 63.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 74.1 110.81 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -122.86 -55.15 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 72.24 110.888 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -91.33 14.02 15.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.882 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.408 ' HA3' ' HA ' ' B' ' 20' ' ' ARG . . . -112.35 -22.56 5.79 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.72 -0.752 . . . . 71.12 112.458 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -79.05 -11.94 60.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.974 0.416 . . . . 64.11 110.911 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.409 HG22 HD22 ' B' ' 27' ' ' LEU . 1.1 m -97.41 -54.02 3.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 75.22 111.132 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.409 HD22 HG22 ' B' ' 26' ' ' THR . 2.6 mm? -69.46 -1.53 8.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 71.11 110.916 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 3.8 ttt85 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 65.53 110.908 179.898 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.766 0.317 . . . . 74.4 111.091 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.7 -8.26 9.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 75.45 110.889 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.35 -5.52 67.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 70.31 112.515 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -116.64 -5.24 11.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.851 0.357 . . . . 73.12 110.86 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.52 -33.36 5.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 74.2 110.932 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -56.69 -23.29 41.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 72.13 110.875 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.595 ' HG2' HD12 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -110.22 109.94 20.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 63.32 110.911 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.651 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -71.16 -51.52 10.25 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.569 0.699 . . . . 75.22 110.841 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.651 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.7 Cg_endo -69.78 16.65 0.21 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.704 2.269 . . . . 74.31 112.344 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.881 HD13 HG23 ' B' ' 5' ' ' THR . 12.2 mt -122.59 -77.44 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 64.02 110.906 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.27 -25.0 5.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 65.34 110.905 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.2 -83.21 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.68 -0.771 . . . . 74.54 112.574 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.56 -5.5 42.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 62.33 110.892 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -87.87 -44.83 5.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 62.31 112.432 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 C-N-CA 120.769 -0.729 . . . . 73.03 112.553 -179.914 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 14.4 mttt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.811 0.339 . . . . 74.3 110.885 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' TYR . . . . . 0.714 ' O ' HG22 ' B' ' 6' ' ' THR . 0.1 OUTLIER -121.34 -53.09 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 75.24 110.887 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.582 ' HB2' HD12 ' B' ' 7' ' ' ILE . 2.4 pt-20 -54.43 -46.28 73.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.089 -0.505 . . . . 74.41 110.884 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 pp -72.41 -2.69 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 73.21 111.192 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.881 HG23 HD13 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -104.21 -20.06 13.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 65.03 111.143 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.714 HG22 ' O ' ' B' ' 2' ' ' TYR . 0.3 OUTLIER -118.61 -5.31 10.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 74.41 111.144 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.582 HD12 ' HB2' ' B' ' 3' ' ' GLU . 62.4 mt -114.86 -11.97 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 73.41 111.118 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -123.91 -1.37 8.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 74.41 110.874 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -85.79 -61.51 1.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 75.41 110.88 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.82 -2.45 8.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.24 110.933 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -80.75 -1.02 41.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 72.21 110.847 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -67.27 -11.32 57.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.118 -0.492 . . . . 72.44 110.917 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.74 -75.31 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 72.55 110.833 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 mp -120.75 120.44 35.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 63.3 110.931 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 1.7 t -119.97 126.36 50.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 71.31 111.094 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -123.68 -98.8 0.43 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 70.54 110.872 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -125.46 -4.67 7.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.92 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 94.7 mt -49.95 -23.75 2.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 72.32 110.998 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.518 ' CE1' HD11 ' B' ' 7' ' ' ILE . 5.2 t80 -49.41 -63.55 1.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 74.13 110.901 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -104.11 -31.97 9.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 73.22 110.844 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -14.87 60.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 74.1 110.822 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -123.41 -60.37 1.48 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 72.24 110.904 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -89.69 13.66 13.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 73.21 110.924 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.42 -19.12 8.11 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.727 -0.749 . . . . 71.12 112.476 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -79.84 -13.21 59.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.971 0.415 . . . . 64.11 110.918 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.403 HG22 ' N ' ' B' ' 27' ' ' LEU . 1.0 OUTLIER -96.5 -54.23 3.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 75.22 111.092 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.403 ' N ' HG22 ' B' ' 26' ' ' THR . 0.4 OUTLIER -71.9 0.94 7.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 71.11 110.919 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 24.3 ttt-85 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 65.53 110.846 179.915 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.795 0.331 . . . . 74.4 111.081 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.71 -13.78 9.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.415 . . . . 75.45 110.899 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.3 -13.15 83.9 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.778 -0.725 . . . . 70.31 112.458 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.529 ' CD1' HG22 ' B' ' 5' ' ' THR . 8.6 m0 -118.85 -20.79 8.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.881 0.372 . . . . 73.12 110.919 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.18 -39.03 15.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 74.2 110.93 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -81.85 -17.17 48.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 72.13 110.864 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.755 ' HG3' HD12 ' A' ' 11' ' ' LEU . 8.7 mptt -81.65 108.61 15.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 63.32 110.884 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.54 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -93.11 -64.96 0.13 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.639 0.733 . . . . 75.22 110.923 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 53.2 Cg_endo -69.7 -13.3 34.63 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.748 2.299 . . . . 74.31 112.367 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.755 HD12 ' HG3' ' A' ' 8' ' ' LYS . 4.9 mt -83.74 -76.78 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 64.02 110.906 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.503 ' HB2' HG21 ' B' ' 5' ' ' THR . 5.0 t80 -118.6 -12.62 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 65.34 110.919 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.79 -108.91 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.729 . . . . 74.54 112.479 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -74.68 -17.3 60.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 62.33 110.882 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.33 47.94 1.93 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.794 -0.717 . . . . 62.31 112.521 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.739 -0.744 . . . . 73.03 112.572 -179.94 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 12.5 mttt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.757 0.313 . . . . 74.3 110.912 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' TYR . . . . . 0.521 ' O ' HG22 ' B' ' 6' ' ' THR . 0.1 OUTLIER -122.47 -50.78 1.98 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 75.24 110.924 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -54.67 -44.64 73.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 74.41 110.819 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.514 ' O ' HD12 ' B' ' 4' ' ' ILE . 1.4 pp -75.37 2.76 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 73.21 111.111 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.529 HG22 ' CD1' ' A' ' 5' ' ' TRP . 46.2 m -106.2 -24.97 12.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 65.03 111.166 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.521 HG22 ' O ' ' B' ' 2' ' ' TYR . 0.2 OUTLIER -118.23 -7.09 10.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 74.41 111.122 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.784 HD11 ' CG ' ' B' ' 19' ' ' PHE . 9.7 mt -122.42 4.3 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 73.41 111.142 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -117.92 -19.2 9.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.41 110.886 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ASN . . . . . 0.474 HD22 HD23 ' B' ' 10' ' ' LEU . 2.8 p-10 -69.91 -63.84 1.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 75.41 110.858 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.474 HD23 HD22 ' B' ' 9' ' ' ASN . 0.7 OUTLIER -126.76 -1.91 6.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 74.24 110.928 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 11' ' ' PHE . . . . . 0.751 ' CE1' HD21 ' B' ' 18' ' ' LEU . 1.4 m-30 -115.0 24.5 11.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 72.21 110.901 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.15 -36.3 13.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 72.44 110.865 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.456 ' O ' HD22 ' B' ' 14' ' ' LEU . 8.2 mtpt -120.6 12.95 11.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 72.55 110.906 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.64 HD12 ' NE2' ' B' ' 16' ' ' HIS . 4.0 mm? -122.33 119.71 31.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 63.3 110.835 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -122.32 104.15 9.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 71.31 111.133 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.64 ' NE2' HD12 ' B' ' 14' ' ' LEU . 41.7 m170 -111.86 -125.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 70.54 110.865 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 10.6 ptt180 -124.11 -24.84 4.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 74.14 110.856 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.751 HD21 ' CE1' ' B' ' 11' ' ' PHE . 2.6 pp -48.63 -25.04 1.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.852 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.784 ' CG ' HD11 ' B' ' 7' ' ' ILE . 4.2 t80 -46.2 -64.62 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 74.13 110.871 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.42 -23.53 13.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 73.22 110.928 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -15.99 61.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 74.1 110.87 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.59 -56.67 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 72.24 110.868 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -92.94 13.26 21.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 73.21 110.856 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -108.8 -17.29 10.49 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 71.12 112.494 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -79.38 -13.84 59.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.94 0.4 . . . . 64.11 110.906 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.413 HG22 ' N ' ' B' ' 27' ' ' LEU . 1.0 OUTLIER -87.22 -53.63 4.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 75.22 111.163 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.413 ' N ' HG22 ' B' ' 26' ' ' THR . 0.4 OUTLIER -71.46 0.31 8.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 71.11 110.879 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 65.53 110.85 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.761 0.315 . . . . 74.4 111.065 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.03 -6.72 9.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 75.45 110.89 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.77 -6.31 63.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.785 -0.721 . . . . 70.31 112.45 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.586 ' NE1' HG23 ' B' ' 5' ' ' THR . 16.8 m0 -118.74 -26.37 6.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 73.12 110.936 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -104.41 -57.37 2.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 74.2 110.858 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.79 -48.31 63.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 72.13 110.833 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.16 -77.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 63.32 110.895 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.5 ' SG ' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -121.04 118.77 30.12 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.634 0.73 . . . . 75.22 110.92 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 39.25 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.668 2.246 . . . . 74.31 112.308 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.847 HD13 HD13 ' B' ' 4' ' ' ILE . 0.5 OUTLIER -98.89 -53.65 3.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.253 -0.43 . . . . 64.02 110.959 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -49.7 -33.63 16.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 65.34 110.872 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.74 -85.72 1.86 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.667 -0.778 . . . . 74.54 112.531 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -52.59 -45.52 66.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 62.33 110.922 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.46 -36.2 37.89 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.694 -0.765 . . . . 62.31 112.53 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 C-N-CA 120.733 -0.746 . . . . 73.03 112.49 -179.931 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 3.6 mptt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.769 0.319 . . . . 74.3 110.937 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' TYR . . . . . 0.773 ' O ' HG22 ' B' ' 5' ' ' THR . 0.9 OUTLIER -116.91 -44.61 2.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 75.24 110.952 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.545 ' HA ' HG23 ' B' ' 6' ' ' THR . 2.8 pt-20 -50.48 -24.13 2.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 74.41 110.886 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.847 HD13 HD13 ' A' ' 11' ' ' LEU . 2.4 pp -73.15 -8.79 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.105 -0.498 . . . . 73.21 111.103 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.773 HG22 ' O ' ' B' ' 2' ' ' TYR . 9.3 t -122.27 -12.89 8.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 65.03 111.054 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.647 ' O ' HD13 ' B' ' 10' ' ' LEU . 0.5 OUTLIER -113.42 -8.11 13.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.311 -0.404 . . . . 74.41 111.141 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.585 ' HA ' HD22 ' B' ' 10' ' ' LEU . 19.8 mm -116.83 -28.71 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 73.41 111.187 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.28 -5.5 15.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 74.41 110.83 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -121.93 20.5 10.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 75.41 110.835 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.647 HD13 ' O ' ' B' ' 6' ' ' THR . 1.3 pt? -120.44 -21.8 6.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 74.24 110.92 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -46.76 -29.49 1.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 72.21 110.869 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 5.1 mmt85 -72.85 -48.18 39.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 72.44 110.835 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.524 ' O ' ' C ' ' B' ' 14' ' ' LEU . 29.1 ttmt -123.52 57.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 72.55 110.918 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.524 ' C ' ' O ' ' B' ' 13' ' ' LYS . 0.4 OUTLIER -27.77 106.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 63.3 110.845 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 15' ' ' THR . . . . . 0.619 HG22 HD12 ' B' ' 18' ' ' LEU . 1.0 OUTLIER -81.8 121.4 26.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 71.31 111.146 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -55.68 -76.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 70.54 110.864 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -119.96 -8.88 9.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 74.14 110.885 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.619 HD12 HG22 ' B' ' 15' ' ' THR . 76.4 mt -52.75 -22.74 5.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 72.32 110.946 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -49.36 -59.6 3.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 74.13 110.904 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.86 -28.22 10.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.052 -0.522 . . . . 73.22 110.837 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.42 -17.37 62.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 74.1 110.894 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -122.66 -54.89 1.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 72.24 110.841 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -92.84 13.88 19.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 73.21 110.886 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.91 -22.88 5.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 71.12 112.532 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -78.27 -12.86 60.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.915 0.388 . . . . 64.11 110.945 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.401 HG22 ' N ' ' B' ' 27' ' ' LEU . 1.0 OUTLIER -96.55 -54.42 3.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 75.22 111.114 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.401 ' N ' HG22 ' B' ' 26' ' ' THR . 0.4 OUTLIER -72.32 1.41 7.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 71.11 110.902 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 65.53 110.8 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.767 0.317 . . . . 74.4 111.138 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -120.48 -7.91 9.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 75.45 110.87 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.79 -4.68 65.16 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 70.31 112.5 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -116.66 -4.3 11.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.784 0.326 . . . . 73.12 110.885 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.92 -34.89 4.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 74.2 110.886 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -51.71 -27.77 12.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 72.13 110.869 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.502 ' CB ' HD12 ' A' ' 11' ' ' LEU . 5.1 mptp? -109.6 113.72 26.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 63.32 110.891 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.615 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 1.8 m -71.35 -53.88 7.46 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.565 0.698 . . . . 75.22 110.859 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.8 Cg_endo -69.72 21.4 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.698 2.265 . . . . 74.31 112.337 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.846 HD13 HG23 ' B' ' 5' ' ' THR . 8.6 mt -122.05 -77.81 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 64.02 110.951 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.23 -20.51 7.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 65.34 110.866 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.72 -76.79 0.21 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.702 -0.761 . . . . 74.54 112.476 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -90.72 -16.42 28.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.348 . . . . 62.33 110.885 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.53 -29.89 63.06 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 62.31 112.495 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.743 . . . . 73.03 112.506 -179.918 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.782 0.325 . . . . 74.3 110.874 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 2' ' ' TYR . . . . . 0.684 ' O ' HG22 ' B' ' 6' ' ' THR . 0.1 OUTLIER -121.07 -54.97 1.99 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 75.24 110.972 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.62 ' HB2' HD12 ' B' ' 7' ' ' ILE . 0.9 OUTLIER -53.23 -47.29 69.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.121 -0.49 . . . . 74.41 110.89 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.46 ' O ' HD13 ' B' ' 4' ' ' ILE . 0.0 OUTLIER -68.64 -10.87 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 73.21 111.117 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.846 HG23 HD13 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -95.19 -20.43 19.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 65.03 111.134 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.684 HG22 ' O ' ' B' ' 2' ' ' TYR . 0.1 OUTLIER -116.7 -6.6 11.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.449 . . . . 74.41 111.13 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.62 HD12 ' HB2' ' B' ' 3' ' ' GLU . 84.9 mt -110.52 -13.64 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 73.41 111.118 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.48 -1.38 9.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.87 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -86.23 -59.19 2.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 75.41 110.84 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.11 -6.0 8.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.44 . . . . 74.24 110.951 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 11' ' ' PHE . . . . . 0.754 ' CD1' HG22 ' B' ' 15' ' ' THR . 0.9 OUTLIER -82.95 -0.3 47.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 72.21 110.879 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -61.65 -17.65 56.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 72.44 110.888 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.48 -74.58 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 72.55 110.94 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 19.9 mt -120.2 115.94 24.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 63.3 110.939 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' THR . . . . . 0.754 HG22 ' CD1' ' B' ' 11' ' ' PHE . 2.9 p -87.66 101.98 14.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 71.31 111.113 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -97.68 -122.5 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 70.54 110.921 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.86 -2.18 8.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 74.14 110.879 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 19.8 mt -49.6 -24.52 2.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 72.32 110.942 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -47.96 -61.68 1.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 74.13 110.889 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.418 ' HA ' ' HA3' ' B' ' 24' ' ' GLY . 0.1 OUTLIER -109.23 -30.9 7.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 73.22 110.888 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.5 -16.99 64.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 74.1 110.825 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -123.91 -57.75 1.6 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.249 -0.432 . . . . 72.24 110.919 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -90.23 12.85 16.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 73.21 110.961 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.418 ' HA3' ' HA ' ' B' ' 20' ' ' ARG . . . -106.6 -5.28 36.61 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.76 -0.733 . . . . 71.12 112.528 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.8 -3.45 48.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.982 0.42 . . . . 64.11 110.952 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.76 -52.38 4.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 75.22 111.146 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.687 HD22 ' O ' ' B' ' 27' ' ' LEU . 0.0 OUTLIER -69.27 -1.65 8.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 71.11 110.891 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.475 ' N ' HD13 ' B' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 65.53 110.853 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.819 0.342 . . . . 74.4 111.086 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -111.42 -21.66 11.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 75.45 110.874 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.17 -10.08 84.2 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 70.31 112.433 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -118.0 -14.61 9.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.848 0.356 . . . . 73.12 110.963 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -120.46 -54.26 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 74.2 110.915 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -59.62 -54.84 41.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 72.13 110.834 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -76.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 63.32 110.877 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.595 ' HB3' HD12 ' A' ' 11' ' ' LEU . 18.1 t -121.15 114.92 31.83 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 121.594 0.712 . . . . 75.22 110.876 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 38.88 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.624 2.216 . . . . 74.31 112.348 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.78 ' O ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -103.39 -6.51 21.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 64.02 110.948 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.653 ' N ' HD13 ' A' ' 11' ' ' LEU . 2.0 t80 -120.58 -17.63 8.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 65.34 110.979 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.53 -65.38 1.62 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 74.54 112.535 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.5 pttp -69.22 -30.09 68.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.709 0.29 . . . . 62.33 110.909 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -76.64 -80.11 0.63 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.707 -0.759 . . . . 62.31 112.506 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.692 -0.766 . . . . 73.03 112.517 -179.923 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.814 0.34 . . . . 74.3 110.931 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.9 -54.07 2.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 75.24 110.899 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -52.66 -46.99 67.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 74.41 110.837 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.48 ' O ' HG22 ' B' ' 4' ' ' ILE . 3.1 mp -69.75 -4.74 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 73.21 111.166 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 92.4 m -100.23 -21.49 15.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 65.03 111.175 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.2 t -121.46 -0.4 9.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 74.41 111.114 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.411 ' HA ' ' HB2' ' B' ' 11' ' ' PHE . 1.3 tp -118.59 -14.18 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 73.41 111.084 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.61 6.26 7.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.85 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -99.74 -55.23 2.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 75.41 110.917 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.538 ' H ' HD23 ' B' ' 10' ' ' LEU . 2.2 pt? -120.47 -6.27 9.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 74.24 110.937 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' PHE . . . . . 0.411 ' HB2' ' HA ' ' B' ' 7' ' ' ILE . 0.1 OUTLIER -78.6 1.05 23.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 72.21 110.94 179.886 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 17.0 mtt-85 -48.12 -71.14 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 72.44 110.868 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -121.64 -3.18 9.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 72.55 110.926 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mt -120.33 115.02 22.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 63.3 110.889 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.34 104.12 15.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 71.31 111.154 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.733 ' CB ' HD22 ' B' ' 18' ' ' LEU . 21.9 m-70 -105.24 123.77 48.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 70.54 110.853 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -12.2 44.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 74.14 110.861 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.733 HD22 ' CB ' ' B' ' 16' ' ' HIS . 0.9 OUTLIER -48.87 -23.81 1.23 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.869 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.619 ' N ' HD23 ' B' ' 18' ' ' LEU . 4.0 t80 -50.63 -61.59 2.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.943 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -104.3 -13.06 16.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 73.22 110.841 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.96 -22.65 27.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 74.1 110.861 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -123.12 -43.3 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 72.24 110.913 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -102.89 13.13 35.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 73.21 110.845 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.23 -16.78 62.02 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.748 -0.739 . . . . 71.12 112.467 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -59.96 -32.7 71.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.0 0.429 . . . . 64.11 110.971 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -91.65 -53.2 4.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 75.22 111.101 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.31 -1.8 7.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 71.11 110.9 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 65.53 110.865 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.481 HG11 HH21 ' A' ' 3' ' ' ARG . 35.9 m . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.825 0.345 . . . . 65.55 111.125 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.51 65.32 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 74.4 111.072 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.481 HH21 HG11 ' A' ' 1' ' ' VAL . 0.0 OUTLIER -120.98 -4.09 9.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 75.45 110.904 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.25 -1.36 55.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 70.31 112.511 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.417 ' CD1' ' HB ' ' B' ' 5' ' ' THR . 19.9 m0 -116.43 -10.36 11.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.826 0.346 . . . . 73.12 110.935 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.59 -44.83 2.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 74.2 110.926 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -73.32 -49.92 24.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 72.13 110.879 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -77.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 63.32 110.89 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.441 ' C ' ' H ' ' A' ' 11' ' ' LEU . 67.4 m -120.66 122.45 28.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.585 0.707 . . . . 75.22 110.857 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 36.83 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.731 2.288 . . . . 74.31 112.348 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.517 HD13 ' HD2' ' B' ' 1' ' ' LYS . 25.3 mt -90.52 -52.02 5.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 64.02 110.893 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -82.74 -14.21 54.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 65.34 110.887 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -104.13 -87.5 2.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.773 -0.727 . . . . 74.54 112.459 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.35 -50.02 52.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.368 . . . . 62.33 110.902 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.48 -35.35 68.32 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 62.31 112.453 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 73.03 112.496 -179.921 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' LYS . . . . . 0.517 ' HD2' HD13 ' A' ' 11' ' ' LEU . 6.9 mtmm . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.826 0.346 . . . . 74.3 110.869 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.24 -55.2 2.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 75.24 110.906 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -53.85 -45.14 70.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 74.41 110.895 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.486 HD12 ' O ' ' B' ' 4' ' ' ILE . 1.7 pp -73.22 0.38 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 73.21 111.142 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.417 ' HB ' ' CD1' ' A' ' 5' ' ' TRP . 0.3 OUTLIER -103.25 -25.94 13.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 65.03 111.134 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.0 t -117.46 -3.78 11.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 74.41 111.131 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.69 HD11 ' N ' ' B' ' 19' ' ' PHE . 23.0 mm -121.66 -1.82 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 73.41 111.13 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -116.35 -15.5 10.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 74.41 110.899 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -72.93 -61.79 1.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 75.41 110.899 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -124.37 -5.05 7.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 74.24 110.943 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' PHE . . . . . 0.446 ' HA ' ' HB2' ' B' ' 14' ' ' LEU . 0.6 OUTLIER -110.37 21.79 16.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 72.21 110.816 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -50.16 -33.95 20.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 72.44 110.843 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.457 ' O ' HD22 ' B' ' 14' ' ' LEU . 1.3 ttmt -119.58 24.57 10.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 72.55 110.902 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.457 HD22 ' O ' ' B' ' 13' ' ' LYS . 4.2 mm? -122.76 123.16 40.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 63.3 110.923 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' THR . . . . . 0.439 ' C ' ' O ' ' B' ' 14' ' ' LEU . 0.1 OUTLIER -34.05 122.65 0.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 71.31 111.156 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.423 ' HA ' HD12 ' B' ' 7' ' ' ILE . 30.3 p-80 -48.13 97.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 70.54 110.841 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.9 -50.42 1.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 74.14 110.859 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 16.5 mt -57.36 -14.77 5.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 72.32 110.883 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.69 ' N ' HD11 ' B' ' 7' ' ' ILE . 5.8 t80 -55.18 -53.04 60.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 74.13 110.881 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.07 -15.98 11.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 73.22 110.851 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 10.2 mmm-85 -86.68 -17.61 33.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 74.1 110.874 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -121.5 -47.44 2.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 72.24 110.866 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -102.49 13.62 34.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 73.21 110.877 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.2 -20.06 14.87 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.791 -0.719 . . . . 71.12 112.525 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.85 -15.81 61.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.935 0.397 . . . . 64.11 110.948 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.4 HG22 ' N ' ' B' ' 27' ' ' LEU . 1.0 OUTLIER -93.83 -54.54 3.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 75.22 111.128 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.4 ' N ' HG22 ' B' ' 26' ' ' THR . 0.4 OUTLIER -71.58 0.51 8.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 71.11 110.96 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 65.53 110.851 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 19.2 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.823 0.344 . . . . 65.55 111.081 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.01 74.24 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 74.4 111.16 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -120.48 -17.4 8.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 75.45 110.908 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.6 -17.64 73.05 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.744 -0.741 . . . . 70.31 112.481 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.507 ' HA ' HG21 ' B' ' 5' ' ' THR . 3.9 m0 -124.48 -2.86 7.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.882 0.373 . . . . 73.12 110.95 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.22 -41.92 2.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 74.2 110.922 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.34 -50.41 14.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 72.13 110.854 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -79.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 63.32 110.931 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.531 ' HB2' HG23 ' B' ' 5' ' ' THR . 13.2 m -121.15 121.67 28.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 75.22 110.922 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.66 38.36 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.708 2.272 . . . . 74.31 112.375 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.433 ' H ' ' C ' ' A' ' 9' ' ' CYS . 4.7 mt -78.87 -60.24 2.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 64.02 110.909 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.439 ' HB3' ' HB3' ' A' ' 5' ' ' TRP . 68.9 t80 -94.05 -33.29 13.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 65.34 110.92 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.31 -76.95 0.39 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 74.54 112.465 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -78.13 -24.1 47.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.341 . . . . 62.33 110.919 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.24 -50.0 4.48 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.747 -0.74 . . . . 62.31 112.517 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.8 -0.714 . . . . 73.03 112.445 -179.903 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.761 0.315 . . . . 74.3 110.896 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' TYR . . . . . 0.757 ' O ' HG22 ' B' ' 6' ' ' THR . 8.1 p90 -50.16 -32.26 15.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 75.24 110.929 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.86 -54.85 7.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.031 -0.531 . . . . 74.41 110.878 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 3.1 mp -61.75 -15.53 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 73.21 111.108 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.531 HG23 ' HB2' ' A' ' 9' ' ' CYS . 0.2 OUTLIER -96.01 -22.38 17.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 65.03 111.126 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.757 HG22 ' O ' ' B' ' 2' ' ' TYR . 0.2 OUTLIER -112.67 1.49 15.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 74.41 111.167 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.609 ' HA ' HD22 ' B' ' 10' ' ' LEU . 29.6 mm -112.96 -26.14 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 73.41 111.063 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.85 -7.99 16.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.847 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -120.06 17.09 12.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 75.41 110.959 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.645 HD13 ' O ' ' B' ' 6' ' ' THR . 0.8 OUTLIER -116.51 -18.78 10.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 74.24 110.945 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 11' ' ' PHE . . . . . 0.551 ' N ' HD23 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -77.08 -9.18 58.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 72.21 110.92 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 8.8 mtt-85 -107.06 -36.15 6.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 72.44 110.899 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -121.35 33.03 5.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 72.55 110.928 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.79 -29.61 3.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 63.3 110.858 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 8.8 t -50.48 -33.96 23.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 71.31 111.174 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -71.12 121.44 18.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 70.54 110.868 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.63 32.63 2.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 74.14 110.85 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 5.6 mt -119.27 20.51 12.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.93 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.405 ' CE1' ' HB ' ' B' ' 6' ' ' THR . 0.1 OUTLIER -120.76 -41.89 2.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 74.13 110.928 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 3.3 mmt85 -106.22 -32.0 8.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 73.22 110.896 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -90.91 -10.57 42.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 74.1 110.906 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -120.88 -42.9 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 72.24 110.954 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.577 ' O ' HD23 ' B' ' 27' ' ' LEU . 16.3 m-85 -104.54 11.0 34.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 73.21 110.892 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.99 -32.84 2.52 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.705 -0.759 . . . . 71.12 112.551 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.01 -11.58 60.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.884 0.374 . . . . 64.11 110.849 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -91.04 -53.6 4.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 75.22 111.167 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.729 HD22 ' CD2' ' B' ' 2' ' ' TYR . 2.8 pp -69.03 -2.52 10.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 71.11 110.931 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 65.53 110.856 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.425 ' O ' HG12 ' A' ' 1' ' ' VAL . 15.2 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.803 0.335 . . . . 65.55 111.132 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.26 73.03 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 74.4 111.158 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -118.39 -15.0 9.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 75.45 110.881 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.85 -13.27 83.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 70.31 112.531 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.684 ' CD1' HG23 ' B' ' 6' ' ' THR . 38.3 m0 -117.29 -13.37 10.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.888 0.375 . . . . 73.12 110.926 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.01 -45.18 3.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 74.2 110.936 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.89 -50.94 8.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 72.13 110.914 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -59.08 -76.24 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 63.32 110.864 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.437 ' C ' ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -120.3 118.84 31.0 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.543 0.687 . . . . 75.22 110.873 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 37.1 0.24 Allowed 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.692 2.261 . . . . 74.31 112.348 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.437 ' H ' ' C ' ' A' ' 9' ' ' CYS . 3.7 mt -89.14 -34.91 16.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.28 -0.418 . . . . 64.02 110.923 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -108.08 -26.56 10.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 65.34 110.871 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.04 -94.1 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 74.54 112.468 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.21 -24.35 63.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.811 0.339 . . . . 62.33 110.967 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -106.44 33.51 6.4 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.701 -0.761 . . . . 62.31 112.467 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 73.03 112.484 -179.943 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 21.8 mttp . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.773 0.321 . . . . 74.3 110.94 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -119.98 -52.58 2.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 75.24 110.858 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.466 ' HB2' HD12 ' B' ' 7' ' ' ILE . 9.4 pt-20 -54.67 -45.85 73.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 74.41 110.831 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 1.5 pp -68.8 -6.66 6.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 73.21 111.111 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 94.0 m -101.65 -24.61 14.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 65.03 111.153 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.684 HG23 ' CD1' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -109.08 -4.75 16.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 74.41 111.138 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.466 HD12 ' HB2' ' B' ' 3' ' ' GLU . 85.8 mt -106.96 -36.4 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 73.41 111.166 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -63.89 -33.39 75.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 74.41 110.837 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -106.31 20.34 19.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 75.41 110.875 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.631 HD22 ' HB2' ' B' ' 19' ' ' PHE . 9.7 tp -119.12 -28.41 5.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 74.24 110.992 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -53.88 -24.23 15.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 72.21 110.856 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -69.5 -50.86 41.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 72.44 110.829 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -123.59 62.11 1.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 72.55 110.93 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' B' ' 15' ' ' THR . 3.2 pp -47.48 -24.8 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 63.3 110.943 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' THR . . . . . 0.42 HG23 ' N ' ' B' ' 16' ' ' HIS . 2.6 t -36.66 -46.75 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 71.31 111.177 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.42 ' N ' HG23 ' B' ' 15' ' ' THR . 13.3 p80 -89.22 124.86 34.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 70.54 110.833 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 67.6 mmt-85 -91.36 25.85 2.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.881 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.556 HD12 ' N ' ' B' ' 19' ' ' PHE . 4.6 pp -47.83 -26.38 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 72.32 110.9 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.631 ' HB2' HD22 ' B' ' 10' ' ' LEU . 3.4 t80 -53.44 -52.22 60.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 74.13 110.876 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.438 ' HA ' ' HA3' ' B' ' 24' ' ' GLY . 10.8 ptm180 -107.8 -40.46 5.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 73.22 110.931 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 10.8 mmt-85 -61.54 -17.8 56.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 74.1 110.87 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.4 ' HB2' ' HA ' ' B' ' 18' ' ' LEU . 18.7 t30 -123.94 -57.04 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 72.24 110.863 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -90.11 15.68 9.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 73.21 110.859 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.438 ' HA3' ' HA ' ' B' ' 20' ' ' ARG . . . -112.31 -22.22 5.92 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.772 -0.728 . . . . 71.12 112.457 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -79.05 -12.35 60.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.885 0.374 . . . . 64.11 110.855 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -101.39 -54.08 2.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 75.22 111.121 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.404 HD12 ' HH2' ' A' ' 5' ' ' TRP . 0.7 OUTLIER -72.16 1.35 7.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 71.11 110.93 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 65.53 110.853 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.5 p . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.784 0.326 . . . . 65.55 111.123 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.43 69.57 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 74.4 111.121 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.44 -16.14 11.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 75.45 110.853 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.33 -5.68 84.92 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 70.31 112.508 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -119.05 -16.79 9.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 73.12 110.927 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -121.12 -54.35 2.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 74.2 110.905 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -54.95 40.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 72.13 110.832 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -59.48 -77.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 63.32 110.943 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.451 ' C ' ' H ' ' A' ' 11' ' ' LEU . 6.3 t -120.81 120.83 29.27 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.587 0.708 . . . . 75.22 110.894 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 37.01 0.24 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.698 2.266 . . . . 74.31 112.309 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.578 ' HB2' HG23 ' B' ' 5' ' ' THR . 13.2 mt -85.29 -38.76 18.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.442 . . . . 64.02 110.945 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -103.37 -25.58 13.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 65.34 110.893 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.28 -106.05 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.767 -0.73 . . . . 74.54 112.428 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 pttp -56.08 -25.23 44.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 62.33 110.891 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -99.86 38.9 2.92 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.73 -0.748 . . . . 62.31 112.512 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 73.03 112.498 -179.914 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.77 0.319 . . . . 74.3 110.879 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' TYR . . . . . 0.66 ' O ' HG22 ' B' ' 6' ' ' THR . 9.1 p90 -50.98 -40.6 58.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 75.24 110.951 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.723 ' HB2' HD12 ' B' ' 7' ' ' ILE . 15.8 pt-20 -50.94 -47.42 61.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 74.41 110.887 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.505 ' O ' HG22 ' B' ' 4' ' ' ILE . 3.0 mp -70.34 -5.02 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 73.21 111.11 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.578 HG23 ' HB2' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -103.8 -16.75 15.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 65.03 111.167 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.66 HG22 ' O ' ' B' ' 2' ' ' TYR . 0.1 OUTLIER -122.77 -2.6 8.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 74.41 111.182 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.723 HD12 ' HB2' ' B' ' 3' ' ' GLU . 60.5 mt -118.61 -14.2 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 73.41 111.133 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -124.46 1.51 8.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 74.41 110.858 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.523 ' HB3' HD23 ' B' ' 10' ' ' LEU . 8.0 m-20 -92.02 -60.17 1.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 75.41 110.951 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.863 HD12 HD13 ' B' ' 18' ' ' LEU . 0.1 OUTLIER -121.24 -1.48 9.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 74.24 110.915 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 11' ' ' PHE . . . . . 0.667 ' CD1' HG22 ' B' ' 15' ' ' THR . 0.5 OUTLIER -84.26 -11.83 55.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 72.21 110.87 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -75.03 -6.41 49.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 72.44 110.837 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.413 ' C ' HD12 ' B' ' 14' ' ' LEU . 0.3 OUTLIER -120.29 -72.17 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 72.55 110.944 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.413 HD12 ' C ' ' B' ' 13' ' ' LYS . 10.9 mp -120.81 117.85 28.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 63.3 110.868 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' THR . . . . . 0.667 HG22 ' CD1' ' B' ' 11' ' ' PHE . 1.7 p -95.71 101.14 12.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 71.31 111.13 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -117.36 -120.22 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 70.54 110.87 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.65 55.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 74.14 110.878 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.863 HD13 HD12 ' B' ' 10' ' ' LEU . 1.6 mt -116.03 21.9 13.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 72.32 110.884 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -113.65 -47.97 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 74.13 110.9 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 21.3 mtt-85 -114.91 -32.01 5.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.493 . . . . 73.22 110.923 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -80.11 -9.62 59.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 74.1 110.876 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -121.89 -53.47 1.96 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 72.24 110.891 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -101.88 15.25 29.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 73.21 110.901 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.59 -28.17 3.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 71.12 112.408 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.45 -12.06 59.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.947 0.403 . . . . 64.11 110.866 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.406 HG22 HD22 ' B' ' 27' ' ' LEU . 1.1 m -100.54 -53.84 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 75.22 111.204 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.406 HD22 HG22 ' B' ' 26' ' ' THR . 2.7 mm? -69.45 -1.5 8.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 71.11 110.942 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 65.53 110.861 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 32.9 m . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.908 0.385 . . . . 65.55 111.101 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.26 73.08 0.97 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.115 -0.493 . . . . 74.4 111.139 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.64 -17.01 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 75.45 110.868 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.97 -10.87 85.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 70.31 112.426 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.43 ' HE1' HG22 ' B' ' 6' ' ' THR . 15.0 m0 -118.22 -7.65 10.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.773 0.321 . . . . 73.12 110.9 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.54 -46.07 2.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 74.2 110.906 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.18 -55.18 3.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 72.13 110.927 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -49.6 -75.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 63.32 110.882 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.439 ' HB3' HD12 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -120.43 115.64 32.51 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.596 0.712 . . . . 75.22 110.887 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.66 36.59 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.67 2.247 . . . . 74.31 112.377 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.578 HD13 ' HB ' ' B' ' 4' ' ' ILE . 4.3 mt -91.56 -34.43 14.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 64.02 110.982 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -99.95 -32.7 10.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 65.34 110.876 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.71 -99.11 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.72 -0.752 . . . . 74.54 112.515 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -22.68 66.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.881 0.372 . . . . 62.33 110.9 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.27 -32.73 68.32 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.812 -0.709 . . . . 62.31 112.464 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 73.03 112.469 -179.896 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 3.2 mttp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.788 0.328 . . . . 74.3 110.863 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' TYR . . . . . 0.533 ' O ' HG23 ' B' ' 6' ' ' THR . 2.6 p90 -113.81 -43.36 3.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.414 . . . . 75.24 110.948 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.531 ' O ' HG23 ' B' ' 7' ' ' ILE . 0.7 OUTLIER -50.02 -51.05 45.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 74.41 110.864 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.578 ' HB ' HD13 ' A' ' 11' ' ' LEU . 6.2 mm -64.21 -12.02 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 73.21 111.185 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.58 -23.95 18.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 65.03 111.067 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.533 HG23 ' O ' ' B' ' 2' ' ' TYR . 0.1 OUTLIER -97.09 -37.55 10.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 74.41 111.202 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.531 HG23 ' O ' ' B' ' 3' ' ' GLU . 11.9 pt -70.92 -36.93 66.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 73.41 111.086 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -76.23 -23.94 54.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.863 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -99.91 -5.73 27.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 75.41 110.889 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.652 HD13 HD11 ' B' ' 18' ' ' LEU . 13.4 tp -82.18 -36.42 27.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 74.24 110.852 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -6.6 41.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 72.21 110.81 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -76.02 -74.78 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 72.44 110.896 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -120.99 44.67 2.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 72.55 110.906 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.534 ' HA ' HD21 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -44.59 102.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 63.3 110.928 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 1.1 p -100.2 -92.05 0.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 71.31 111.185 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -123.67 -83.37 0.65 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 70.54 110.844 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -122.53 68.63 0.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 74.14 110.878 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.652 HD11 HD13 ' B' ' 10' ' ' LEU . 0.6 OUTLIER -94.9 22.05 6.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 72.32 110.878 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.445 ' CE1' HG21 ' B' ' 6' ' ' THR . 4.5 t80 -121.93 -51.81 2.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 74.13 110.894 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -98.87 -43.36 6.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 73.22 110.819 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.6 -1.29 33.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 74.1 110.913 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -122.98 -55.2 1.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 72.24 110.893 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -103.04 14.72 31.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 73.21 110.915 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.83 -22.67 5.27 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.633 -0.794 . . . . 71.12 112.44 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -79.14 -12.29 59.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.972 0.415 . . . . 64.11 110.94 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.65 -53.99 3.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 75.22 111.181 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.04 1.04 7.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 71.11 110.953 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 65.53 110.877 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 34.6 m . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.831 0.348 . . . . 65.55 111.095 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.2 73.16 0.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 74.4 111.091 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -114.29 -19.28 11.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 75.45 110.894 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.3 -11.07 82.23 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 70.31 112.463 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 7.7 m0 -119.81 -8.78 9.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.868 0.366 . . . . 73.12 110.961 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.23 -46.71 2.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 74.2 110.9 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.11 -54.04 4.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 72.13 110.89 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 63.32 110.928 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.453 ' C ' ' H ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -120.25 117.6 31.77 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.614 0.721 . . . . 75.22 110.909 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 36.41 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.622 2.215 . . . . 74.31 112.369 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.627 HD13 ' HG2' ' B' ' 1' ' ' LYS . 79.6 mt -94.28 -34.02 13.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 64.02 110.854 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -106.83 -17.95 14.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 65.34 110.898 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.93 -101.94 0.33 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.772 -0.727 . . . . 74.54 112.47 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -28.36 65.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 62.33 110.827 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.21 -44.29 66.93 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 62.31 112.405 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 73.03 112.431 -179.824 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' LYS . . . . . 0.627 ' HG2' HD13 ' A' ' 11' ' ' LEU . 2.9 mptm? . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.777 0.323 . . . . 74.3 110.867 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' TYR . . . . . 0.71 ' O ' HG22 ' B' ' 6' ' ' THR . 0.1 OUTLIER -120.41 -49.27 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.904 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.668 ' HB2' HD12 ' B' ' 7' ' ' ILE . 12.4 pt-20 -52.34 -48.2 65.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 74.41 110.895 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -73.1 0.64 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 73.21 111.128 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.16 -19.75 13.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 65.03 111.141 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.71 HG22 ' O ' ' B' ' 2' ' ' TYR . 0.0 OUTLIER -119.45 -9.6 9.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.408 . . . . 74.41 111.094 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.668 HD12 ' HB2' ' B' ' 3' ' ' GLU . 70.2 mt -106.57 -13.83 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 73.41 111.072 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.09 -1.11 9.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 74.41 110.869 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -87.13 -59.34 2.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 75.41 110.891 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.498 ' H ' HD23 ' B' ' 10' ' ' LEU . 1.9 pt? -121.88 -6.12 9.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.959 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' PHE . . . . . 0.79 ' CD1' HG22 ' B' ' 15' ' ' THR . 0.1 OUTLIER -79.61 -3.71 48.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 72.21 110.922 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.28 -7.48 52.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 72.44 110.82 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -120.09 -74.43 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 72.55 110.93 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -107.53 108.67 20.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 63.3 110.902 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' THR . . . . . 0.79 HG22 ' CD1' ' B' ' 11' ' ' PHE . 2.4 p -99.33 100.62 11.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 71.31 111.11 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -122.29 -100.81 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 70.54 110.867 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 16.3 ptt-85 -126.61 33.4 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 74.14 110.904 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.468 HD13 HD11 ' B' ' 10' ' ' LEU . 4.7 mt -93.56 26.22 3.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 72.32 110.946 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.567 ' CZ ' HD11 ' B' ' 7' ' ' ILE . 5.6 t80 -112.64 -50.25 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 74.13 110.812 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.03 -36.93 3.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.22 110.863 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.83 -7.45 52.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 74.1 110.882 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -123.59 -57.76 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 72.24 110.891 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -99.17 15.14 26.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 73.21 110.856 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.88 -15.42 14.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 71.12 112.487 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -78.13 -15.35 58.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.005 0.431 . . . . 64.11 110.941 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.424 HG22 ' N ' ' B' ' 27' ' ' LEU . 1.0 OUTLIER -80.3 -53.26 6.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 75.22 111.181 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.424 ' N ' HG22 ' B' ' 26' ' ' THR . 0.5 OUTLIER -71.28 0.02 8.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 71.11 110.96 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 65.53 110.894 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.79 0.329 . . . . 65.55 111.164 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.42 65.12 1.18 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.449 . . . . 74.4 111.166 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.63 -3.49 9.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 75.45 110.869 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.13 1.78 40.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 70.31 112.456 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.473 ' CD1' HG23 ' B' ' 6' ' ' THR . 6.4 m0 -120.26 -23.04 6.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.86 0.362 . . . . 73.12 110.942 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.89 -58.03 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 74.2 110.866 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -59.63 -57.61 12.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 72.13 110.864 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -54.86 -75.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 63.32 110.899 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.477 ' HB3' HG23 ' B' ' 5' ' ' THR . 0.1 OUTLIER -120.07 122.34 29.0 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.643 0.735 . . . . 75.22 110.855 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 37.3 0.24 Allowed 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.673 2.249 . . . . 74.31 112.343 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.45 ' H ' ' C ' ' A' ' 9' ' ' CYS . 52.3 mt -87.55 -35.25 18.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 64.02 110.908 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -111.62 -24.44 10.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 65.34 110.846 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.1 -109.8 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.753 -0.737 . . . . 74.54 112.529 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -59.51 -22.65 61.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 62.33 110.909 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -93.29 23.11 31.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 62.31 112.501 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.204 0 C-N-CA 120.714 -0.755 . . . . 73.03 112.453 -179.886 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.86 0.362 . . . . 74.3 110.883 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.68 -48.21 2.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 75.24 110.907 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -54.92 -47.43 74.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 74.41 110.795 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.89 -6.03 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 73.21 111.075 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.477 HG23 ' HB3' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -101.36 -33.48 10.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 65.03 111.123 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.473 HG23 ' CD1' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -92.41 -38.23 12.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 74.41 111.105 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 87.1 mt -67.44 -38.79 81.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 73.41 111.051 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.83 -3.62 42.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 74.41 110.871 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -117.8 -4.13 11.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 75.41 110.927 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.582 HD21 ' HA ' ' B' ' 16' ' ' HIS . 0.4 OUTLIER -120.22 -18.68 7.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 74.24 110.896 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.29 -25.18 5.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 72.21 110.886 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -56.84 -22.92 40.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 72.44 110.933 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -105.33 -74.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 72.55 110.904 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 mp -116.79 -122.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 63.3 110.9 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' THR . . . . . 0.498 ' O ' HD11 ' B' ' 10' ' ' LEU . 0.7 OUTLIER -121.17 -90.9 0.57 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 71.31 111.093 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.582 ' HA ' HD21 ' B' ' 10' ' ' LEU . 19.3 p-80 -123.51 83.88 2.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 70.54 110.906 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -120.87 -52.75 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.14 110.911 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 34.8 mt -64.55 -7.52 10.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 72.32 110.904 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -65.69 -50.0 66.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.866 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -117.42 -35.39 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 73.22 110.857 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -18.79 65.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 74.1 110.888 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -123.22 -53.4 1.83 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 72.24 110.881 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.695 ' O ' HD23 ' B' ' 27' ' ' LEU . 22.7 m-85 -91.19 12.42 20.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 73.21 110.919 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.03 -23.8 5.41 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.81 -0.71 . . . . 71.12 112.524 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.71 -11.89 60.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.967 0.413 . . . . 64.11 110.927 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.05 -53.84 3.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 75.22 111.147 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.695 HD23 ' O ' ' B' ' 23' ' ' PHE . 1.3 pp -70.14 -1.39 9.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.284 -0.416 . . . . 71.11 110.931 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 65.53 110.859 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 18.0 m . . . . . 0 N--CA 1.46 0.031 0 CA-C-O 120.817 0.341 . . . . 65.55 111.088 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.2 73.04 0.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 74.4 111.132 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.75 -18.05 10.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.218 -0.446 . . . . 75.45 110.877 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.55 -9.88 85.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 70.31 112.41 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.1 m0 -118.5 -11.81 9.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.768 0.318 . . . . 73.12 110.926 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.43 -48.1 2.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 74.2 110.878 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -82.09 -50.42 9.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.408 . . . . 72.13 110.89 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -50.29 -70.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 63.32 110.947 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.431 ' C ' ' H ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -120.3 116.38 32.35 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.577 0.703 . . . . 75.22 110.914 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.76 37.52 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.661 2.24 . . . . 74.31 112.32 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.431 ' H ' ' C ' ' A' ' 9' ' ' CYS . 95.2 mt -112.06 -18.63 12.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 64.02 110.927 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.92 -20.19 12.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 65.34 110.857 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -120.12 -77.01 0.49 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 74.54 112.44 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.0 -57.59 7.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.807 0.337 . . . . 62.33 110.853 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -96.33 30.04 9.29 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 62.31 112.506 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 73.03 112.516 -179.903 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.831 0.348 . . . . 74.3 110.953 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' TYR . . . . . 0.426 ' O ' HG22 ' B' ' 6' ' ' THR . 0.1 OUTLIER -120.16 -49.35 2.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 75.24 110.958 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -53.54 -47.69 69.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 74.41 110.918 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.56 -4.25 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 73.21 111.11 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 88.5 m -99.45 -26.79 14.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 65.03 111.152 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.426 HG22 ' O ' ' B' ' 2' ' ' TYR . 1.8 t -109.43 -8.92 14.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 74.41 111.198 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.803 HD13 HD23 ' B' ' 10' ' ' LEU . 22.6 mm -94.74 -31.97 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 73.41 111.15 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.49 -24.3 66.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.856 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -115.59 14.43 16.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 75.41 110.88 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.803 HD23 HD13 ' B' ' 7' ' ' ILE . 9.0 tp -120.44 -26.34 5.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 74.24 110.865 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' PHE . . . . . 0.413 ' CD1' HG23 ' B' ' 7' ' ' ILE . 0.3 OUTLIER -64.73 -7.68 11.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 72.21 110.991 179.848 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -44.77 -83.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 72.44 110.848 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -124.86 7.37 8.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 72.55 110.897 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.482 ' HB2' HD12 ' B' ' 10' ' ' LEU . 3.2 mt -121.78 121.09 36.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 63.3 110.932 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.04 -94.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 71.31 111.129 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -125.1 80.81 1.91 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.203 -0.453 . . . . 70.54 110.829 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.68 -64.94 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 74.14 110.895 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.632 HD12 HD13 ' B' ' 10' ' ' LEU . 8.8 mt -68.86 3.23 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 72.32 110.873 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -81.61 -48.25 11.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 74.13 110.875 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -116.63 -34.27 4.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 73.22 110.84 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 35.6 mmm-85 -70.98 -8.65 54.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 74.1 110.847 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.411 ' CG ' HD23 ' B' ' 18' ' ' LEU . 3.7 m120 -122.77 -61.77 1.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 72.24 110.924 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -95.41 16.13 17.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 73.21 110.859 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.34 -18.54 8.55 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.73 -0.748 . . . . 71.12 112.489 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -80.54 -11.55 59.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.95 0.405 . . . . 64.11 110.891 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.4 HG22 ' N ' ' B' ' 27' ' ' LEU . 1.0 OUTLIER -94.93 -54.26 3.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 75.22 111.122 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.428 ' C ' HD12 ' B' ' 27' ' ' LEU . 4.3 pp -70.47 -0.99 9.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 71.11 110.892 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 65.53 110.917 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 1' ' ' VAL . 8.6 p . . . . . 0 N--CA 1.458 -0.045 0 CA-C-O 120.888 0.375 . . . . 65.55 111.175 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.09 72.53 0.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 74.4 111.117 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -119.93 -13.57 9.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 75.45 110.875 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.64 -12.8 84.14 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.737 -0.744 . . . . 70.31 112.446 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.424 ' CZ2' ' HB2' ' B' ' 2' ' ' TYR . 21.3 m0 -116.84 -12.85 10.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.775 0.321 . . . . 73.12 110.924 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.67 -46.93 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 74.2 110.902 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.79 -49.51 14.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 72.13 110.831 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -74.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 63.32 110.909 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.642 ' SG ' HD23 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -119.21 121.05 30.55 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.557 0.694 . . . . 75.22 110.941 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.87 37.27 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.669 2.246 . . . . 74.31 112.322 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.642 HD23 ' SG ' ' A' ' 9' ' ' CYS . 1.4 pp -110.54 -30.01 7.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 64.02 110.926 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -104.87 -17.61 14.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 65.34 110.855 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.1 -83.09 0.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.696 -0.764 . . . . 74.54 112.487 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -73.1 -24.99 60.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.859 0.361 . . . . 62.33 110.878 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.66 -66.39 2.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.811 -0.709 . . . . 62.31 112.468 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 C-N-CA 120.8 -0.714 . . . . 73.03 112.57 -179.904 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 6.2 mttt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.837 0.351 . . . . 74.3 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' TYR . . . . . 0.424 ' HB2' ' CZ2' ' A' ' 5' ' ' TRP . 0.1 OUTLIER -120.8 -48.92 2.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 75.24 110.887 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.493 ' HB2' HD12 ' B' ' 7' ' ' ILE . 9.3 pt-20 -53.55 -47.7 69.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 74.41 110.943 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.22 -8.01 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 73.21 111.154 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.03 -27.01 14.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 65.03 111.144 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.419 HG22 ' O ' ' B' ' 2' ' ' TYR . 2.9 t -108.5 -2.99 18.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 74.41 111.168 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.493 HD12 ' HB2' ' B' ' 3' ' ' GLU . 76.3 mt -105.97 -29.3 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 73.41 111.142 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -62.88 -36.42 83.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.907 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.6 16.62 25.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 75.41 110.853 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.611 HD21 ' H ' ' B' ' 17' ' ' ARG . 2.3 tp -118.55 -32.12 4.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 74.24 110.916 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' PHE . . . . . 0.418 ' O ' ' C ' ' B' ' 12' ' ' ARG . 0.3 OUTLIER -56.58 -15.2 3.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 72.21 110.933 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' B' ' 11' ' ' PHE . 5.3 mtt180 -37.1 -73.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 72.44 110.838 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -120.84 -15.14 8.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 72.55 110.851 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.645 HD22 ' HG2' ' B' ' 17' ' ' ARG . 21.0 mt -116.44 110.69 18.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 63.3 110.934 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' THR . . . . . 0.565 HG23 ' H ' ' B' ' 16' ' ' HIS . 0.1 OUTLIER -48.39 -82.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 71.31 111.148 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.565 ' H ' HG23 ' B' ' 15' ' ' THR . 0.3 OUTLIER -126.11 82.48 2.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 70.54 110.832 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.645 ' HG2' HD22 ' B' ' 14' ' ' LEU . 0.7 OUTLIER -121.0 -72.37 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 74.14 110.883 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 21.6 mt -58.56 -8.29 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 72.32 110.901 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -65.59 -51.85 56.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.888 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 24.7 mtp85 -115.08 -12.97 11.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 73.22 110.879 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 1.4 mmt-85 -90.22 -16.93 28.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 74.1 110.946 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -121.09 -46.98 2.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 72.24 110.888 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' PHE . . . . . 0.615 ' O ' HD23 ' B' ' 27' ' ' LEU . 75.6 m-85 -105.92 15.26 26.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 73.21 110.879 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.11 -20.57 23.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.741 . . . . 71.12 112.468 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.06 -2.07 46.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.032 0.444 . . . . 64.11 110.933 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.407 HG22 ' N ' ' B' ' 27' ' ' LEU . 1.1 m -109.25 -54.84 2.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 75.22 111.157 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.615 HD23 ' O ' ' B' ' 23' ' ' PHE . 1.3 pp -70.73 -0.57 9.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 71.11 110.896 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 65.53 110.848 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.872 0.368 . . . . 65.55 111.104 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.83 66.52 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 74.4 111.069 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.6 -9.25 9.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 75.45 110.875 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.47 ' O ' HG22 ' B' ' 5' ' ' THR . . . -87.31 -8.5 74.58 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.755 -0.736 . . . . 70.31 112.465 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.78 ' CD1' HG23 ' B' ' 6' ' ' THR . 1.1 m0 -123.64 -33.66 3.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.869 0.366 . . . . 73.12 110.91 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -54.74 7.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 74.2 110.877 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -65.12 -20.42 66.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 72.13 110.829 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.776 ' HG3' HD12 ' A' ' 11' ' ' LEU . 3.4 mptp? -77.89 80.18 4.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 63.32 110.865 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.497 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -72.7 -59.87 2.21 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.579 0.704 . . . . 75.22 110.898 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.9 Cg_endo -69.7 -6.36 18.39 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.688 2.259 . . . . 74.31 112.343 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.776 HD12 ' HG3' ' A' ' 8' ' ' LYS . 15.0 mt -105.49 -61.07 1.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.409 . . . . 64.02 110.911 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.836 ' HB2' HG21 ' B' ' 5' ' ' THR . 25.8 t80 -89.34 -42.06 11.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 65.34 110.873 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.52 -99.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.669 -0.777 . . . . 74.54 112.5 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -75.13 -16.51 60.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 62.33 110.917 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.21 -27.03 30.53 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 62.31 112.491 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 C-N-CA 120.75 -0.738 . . . . 73.03 112.561 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 1.8 mttt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.77 0.319 . . . . 74.3 110.962 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.8 -59.94 1.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 75.24 110.853 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -54.52 -44.1 72.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 74.41 110.915 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 tp -69.4 -7.16 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 73.21 111.152 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.836 HG21 ' HB2' ' A' ' 12' ' ' PHE . 24.0 m -95.74 -33.68 12.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 65.03 111.163 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.78 HG23 ' CD1' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -94.84 -37.3 11.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 74.41 111.131 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 97.7 mt -65.87 -36.02 76.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 73.41 111.134 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -79.51 -6.16 56.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.893 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -120.95 -0.13 10.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.893 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.523 HD22 ' HB2' ' B' ' 19' ' ' PHE . 1.1 pp -121.3 -18.05 7.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 74.24 110.962 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.72 -27.77 19.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 72.21 110.873 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -62.89 -62.71 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 72.44 110.89 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' B' ' 15' ' ' THR . 19.8 mttm -122.86 63.36 0.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 72.55 110.94 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.81 76.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 63.3 110.886 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' THR . . . . . 0.525 ' N ' ' O ' ' B' ' 13' ' ' LYS . 1.0 OUTLIER -126.12 -37.71 2.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 71.31 111.147 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.424 ' HB3' HD23 ' B' ' 18' ' ' LEU . 95.6 m-70 -83.0 125.1 31.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 70.54 110.83 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.07 3.85 11.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 74.14 110.896 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.424 HD23 ' HB3' ' B' ' 16' ' ' HIS . 3.6 pp -49.85 -24.96 2.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 72.32 110.969 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.523 ' HB2' HD22 ' B' ' 10' ' ' LEU . 3.1 t80 -48.24 -58.82 4.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.849 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.408 ' HA ' ' HA3' ' B' ' 24' ' ' GLY . 24.6 ptt85 -107.76 -29.22 9.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 73.22 110.874 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -70.15 -18.36 63.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 74.1 110.81 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -122.86 -55.15 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 72.24 110.888 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -91.33 14.02 15.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.882 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.408 ' HA3' ' HA ' ' B' ' 20' ' ' ARG . . . -112.35 -22.56 5.79 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.72 -0.752 . . . . 71.12 112.458 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -79.05 -11.94 60.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.974 0.416 . . . . 64.11 110.911 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.409 HG22 HD22 ' B' ' 27' ' ' LEU . 1.1 m -97.41 -54.02 3.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 75.22 111.132 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.409 HD22 HG22 ' B' ' 26' ' ' THR . 2.6 mm? -69.46 -1.53 8.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 71.11 110.916 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 3.8 ttt85 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 65.53 110.908 179.898 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.793 0.33 . . . . 65.55 111.159 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.48 66.17 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 74.4 111.091 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.7 -8.26 9.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 75.45 110.889 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.35 -5.52 67.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 70.31 112.515 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -116.64 -5.24 11.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.851 0.357 . . . . 73.12 110.86 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.52 -33.36 5.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 74.2 110.932 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -56.69 -23.29 41.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 72.13 110.875 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.595 ' HG2' HD12 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -110.22 109.94 20.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 63.32 110.911 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.651 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -71.16 -51.52 10.25 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.569 0.699 . . . . 75.22 110.841 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.651 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.7 Cg_endo -69.78 16.65 0.21 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.704 2.269 . . . . 74.31 112.344 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.881 HD13 HG23 ' B' ' 5' ' ' THR . 12.2 mt -122.59 -77.44 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 64.02 110.906 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.27 -25.0 5.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 65.34 110.905 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.2 -83.21 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.68 -0.771 . . . . 74.54 112.574 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.56 -5.5 42.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 62.33 110.892 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -87.87 -44.83 5.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 62.31 112.432 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 C-N-CA 120.769 -0.729 . . . . 73.03 112.553 -179.914 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 14.4 mttt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.811 0.339 . . . . 74.3 110.885 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' TYR . . . . . 0.714 ' O ' HG22 ' B' ' 6' ' ' THR . 0.1 OUTLIER -121.34 -53.09 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 75.24 110.887 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.582 ' HB2' HD12 ' B' ' 7' ' ' ILE . 2.4 pt-20 -54.43 -46.28 73.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.089 -0.505 . . . . 74.41 110.884 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 pp -72.41 -2.69 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 73.21 111.192 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.881 HG23 HD13 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -104.21 -20.06 13.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 65.03 111.143 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.714 HG22 ' O ' ' B' ' 2' ' ' TYR . 0.3 OUTLIER -118.61 -5.31 10.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 74.41 111.144 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.582 HD12 ' HB2' ' B' ' 3' ' ' GLU . 62.4 mt -114.86 -11.97 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 73.41 111.118 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -123.91 -1.37 8.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 74.41 110.874 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -85.79 -61.51 1.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 75.41 110.88 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.82 -2.45 8.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.24 110.933 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -80.75 -1.02 41.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 72.21 110.847 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -67.27 -11.32 57.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.118 -0.492 . . . . 72.44 110.917 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.74 -75.31 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 72.55 110.833 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 mp -120.75 120.44 35.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 63.3 110.931 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 1.7 t -119.97 126.36 50.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 71.31 111.094 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -123.68 -98.8 0.43 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 70.54 110.872 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -125.46 -4.67 7.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.92 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 94.7 mt -49.95 -23.75 2.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 72.32 110.998 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.518 ' CE1' HD11 ' B' ' 7' ' ' ILE . 5.2 t80 -49.41 -63.55 1.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 74.13 110.901 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -104.11 -31.97 9.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 73.22 110.844 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -14.87 60.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 74.1 110.822 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -123.41 -60.37 1.48 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 72.24 110.904 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -89.69 13.66 13.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 73.21 110.924 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.42 -19.12 8.11 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.727 -0.749 . . . . 71.12 112.476 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -79.84 -13.21 59.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.971 0.415 . . . . 64.11 110.918 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.403 HG22 ' N ' ' B' ' 27' ' ' LEU . 1.0 OUTLIER -96.5 -54.23 3.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 75.22 111.092 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.403 ' N ' HG22 ' B' ' 26' ' ' THR . 0.4 OUTLIER -71.9 0.94 7.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 71.11 110.919 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 24.3 ttt-85 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 65.53 110.846 179.915 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.853 0.358 . . . . 65.55 111.05 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.13 72.59 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 74.4 111.081 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.71 -13.78 9.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.415 . . . . 75.45 110.899 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.3 -13.15 83.9 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.778 -0.725 . . . . 70.31 112.458 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.529 ' CD1' HG22 ' B' ' 5' ' ' THR . 8.6 m0 -118.85 -20.79 8.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.881 0.372 . . . . 73.12 110.919 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.18 -39.03 15.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 74.2 110.93 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -81.85 -17.17 48.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 72.13 110.864 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.755 ' HG3' HD12 ' A' ' 11' ' ' LEU . 8.7 mptt -81.65 108.61 15.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 63.32 110.884 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.54 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -93.11 -64.96 0.13 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.639 0.733 . . . . 75.22 110.923 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 53.2 Cg_endo -69.7 -13.3 34.63 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.748 2.299 . . . . 74.31 112.367 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.755 HD12 ' HG3' ' A' ' 8' ' ' LYS . 4.9 mt -83.74 -76.78 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 64.02 110.906 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.503 ' HB2' HG21 ' B' ' 5' ' ' THR . 5.0 t80 -118.6 -12.62 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 65.34 110.919 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.79 -108.91 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.729 . . . . 74.54 112.479 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -74.68 -17.3 60.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 62.33 110.882 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.33 47.94 1.93 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.794 -0.717 . . . . 62.31 112.521 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.739 -0.744 . . . . 73.03 112.572 -179.94 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 12.5 mttt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.757 0.313 . . . . 74.3 110.912 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' TYR . . . . . 0.521 ' O ' HG22 ' B' ' 6' ' ' THR . 0.1 OUTLIER -122.47 -50.78 1.98 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 75.24 110.924 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -54.67 -44.64 73.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 74.41 110.819 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.514 ' O ' HD12 ' B' ' 4' ' ' ILE . 1.4 pp -75.37 2.76 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 73.21 111.111 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.529 HG22 ' CD1' ' A' ' 5' ' ' TRP . 46.2 m -106.2 -24.97 12.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 65.03 111.166 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.521 HG22 ' O ' ' B' ' 2' ' ' TYR . 0.2 OUTLIER -118.23 -7.09 10.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 74.41 111.122 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.784 HD11 ' CG ' ' B' ' 19' ' ' PHE . 9.7 mt -122.42 4.3 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 73.41 111.142 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -117.92 -19.2 9.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.41 110.886 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.474 HD22 HD23 ' B' ' 10' ' ' LEU . 2.8 p-10 -69.91 -63.84 1.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 75.41 110.858 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.474 HD23 HD22 ' B' ' 9' ' ' ASN . 0.7 OUTLIER -126.76 -1.91 6.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 74.24 110.928 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 11' ' ' PHE . . . . . 0.751 ' CE1' HD21 ' B' ' 18' ' ' LEU . 1.4 m-30 -115.0 24.5 11.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 72.21 110.901 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.15 -36.3 13.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 72.44 110.865 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.456 ' O ' HD22 ' B' ' 14' ' ' LEU . 8.2 mtpt -120.6 12.95 11.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 72.55 110.906 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.64 HD12 ' NE2' ' B' ' 16' ' ' HIS . 4.0 mm? -122.33 119.71 31.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 63.3 110.835 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -122.32 104.15 9.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 71.31 111.133 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.64 ' NE2' HD12 ' B' ' 14' ' ' LEU . 41.7 m170 -111.86 -125.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 70.54 110.865 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 10.6 ptt180 -124.11 -24.84 4.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 74.14 110.856 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.751 HD21 ' CE1' ' B' ' 11' ' ' PHE . 2.6 pp -48.63 -25.04 1.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.852 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.784 ' CG ' HD11 ' B' ' 7' ' ' ILE . 4.2 t80 -46.2 -64.62 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 74.13 110.871 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.42 -23.53 13.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 73.22 110.928 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -15.99 61.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 74.1 110.87 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.59 -56.67 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 72.24 110.868 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -92.94 13.26 21.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 73.21 110.856 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -108.8 -17.29 10.49 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 71.12 112.494 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -79.38 -13.84 59.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.94 0.4 . . . . 64.11 110.906 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.413 HG22 ' N ' ' B' ' 27' ' ' LEU . 1.0 OUTLIER -87.22 -53.63 4.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 75.22 111.163 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.413 ' N ' HG22 ' B' ' 26' ' ' THR . 0.4 OUTLIER -71.46 0.31 8.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 71.11 110.879 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 65.53 110.85 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 48.6 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.75 0.31 . . . . 65.55 111.147 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.0 72.37 0.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 74.4 111.065 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.03 -6.72 9.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 75.45 110.89 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.77 -6.31 63.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.785 -0.721 . . . . 70.31 112.45 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.586 ' NE1' HG23 ' B' ' 5' ' ' THR . 16.8 m0 -118.74 -26.37 6.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 73.12 110.936 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -104.41 -57.37 2.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 74.2 110.858 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.79 -48.31 63.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 72.13 110.833 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.16 -77.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 63.32 110.895 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.5 ' SG ' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -121.04 118.77 30.12 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.634 0.73 . . . . 75.22 110.92 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 39.25 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.668 2.246 . . . . 74.31 112.308 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.847 HD13 HD13 ' B' ' 4' ' ' ILE . 0.5 OUTLIER -98.89 -53.65 3.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.253 -0.43 . . . . 64.02 110.959 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -49.7 -33.63 16.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 65.34 110.872 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.74 -85.72 1.86 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.667 -0.778 . . . . 74.54 112.531 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -52.59 -45.52 66.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 62.33 110.922 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.46 -36.2 37.89 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.694 -0.765 . . . . 62.31 112.53 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 C-N-CA 120.733 -0.746 . . . . 73.03 112.49 -179.931 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 3.6 mptt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.769 0.319 . . . . 74.3 110.937 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' TYR . . . . . 0.773 ' O ' HG22 ' B' ' 5' ' ' THR . 0.9 OUTLIER -116.91 -44.61 2.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 75.24 110.952 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.545 ' HA ' HG23 ' B' ' 6' ' ' THR . 2.8 pt-20 -50.48 -24.13 2.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 74.41 110.886 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.847 HD13 HD13 ' A' ' 11' ' ' LEU . 2.4 pp -73.15 -8.79 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.105 -0.498 . . . . 73.21 111.103 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.773 HG22 ' O ' ' B' ' 2' ' ' TYR . 9.3 t -122.27 -12.89 8.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 65.03 111.054 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.647 ' O ' HD13 ' B' ' 10' ' ' LEU . 0.5 OUTLIER -113.42 -8.11 13.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.311 -0.404 . . . . 74.41 111.141 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.585 ' HA ' HD22 ' B' ' 10' ' ' LEU . 19.8 mm -116.83 -28.71 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 73.41 111.187 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.28 -5.5 15.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 74.41 110.83 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -121.93 20.5 10.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 75.41 110.835 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.647 HD13 ' O ' ' B' ' 6' ' ' THR . 1.3 pt? -120.44 -21.8 6.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 74.24 110.92 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -46.76 -29.49 1.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 72.21 110.869 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 5.1 mmt85 -72.85 -48.18 39.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 72.44 110.835 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.524 ' O ' ' C ' ' B' ' 14' ' ' LEU . 29.1 ttmt -123.52 57.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 72.55 110.918 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.524 ' C ' ' O ' ' B' ' 13' ' ' LYS . 0.4 OUTLIER -27.77 106.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 63.3 110.845 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 15' ' ' THR . . . . . 0.619 HG22 HD12 ' B' ' 18' ' ' LEU . 1.0 OUTLIER -81.8 121.4 26.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 71.31 111.146 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -55.68 -76.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 70.54 110.864 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -119.96 -8.88 9.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 74.14 110.885 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.619 HD12 HG22 ' B' ' 15' ' ' THR . 76.4 mt -52.75 -22.74 5.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 72.32 110.946 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -49.36 -59.6 3.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 74.13 110.904 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.86 -28.22 10.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.052 -0.522 . . . . 73.22 110.837 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.42 -17.37 62.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 74.1 110.894 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -122.66 -54.89 1.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 72.24 110.841 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -92.84 13.88 19.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 73.21 110.886 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.91 -22.88 5.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 71.12 112.532 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -78.27 -12.86 60.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.915 0.388 . . . . 64.11 110.945 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.401 HG22 ' N ' ' B' ' 27' ' ' LEU . 1.0 OUTLIER -96.55 -54.42 3.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 75.22 111.114 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.401 ' N ' HG22 ' B' ' 26' ' ' THR . 0.4 OUTLIER -72.32 1.41 7.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 71.11 110.902 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 65.53 110.8 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.862 0.363 . . . . 65.55 111.103 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.17 64.6 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 74.4 111.138 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -120.48 -7.91 9.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 75.45 110.87 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.79 -4.68 65.16 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 70.31 112.5 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -116.66 -4.3 11.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.784 0.326 . . . . 73.12 110.885 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.92 -34.89 4.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 74.2 110.886 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -51.71 -27.77 12.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 72.13 110.869 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.502 ' CB ' HD12 ' A' ' 11' ' ' LEU . 5.1 mptp? -109.6 113.72 26.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 63.32 110.891 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.615 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 1.8 m -71.35 -53.88 7.46 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.565 0.698 . . . . 75.22 110.859 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.8 Cg_endo -69.72 21.4 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.698 2.265 . . . . 74.31 112.337 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.846 HD13 HG23 ' B' ' 5' ' ' THR . 8.6 mt -122.05 -77.81 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 64.02 110.951 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.23 -20.51 7.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 65.34 110.866 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.72 -76.79 0.21 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.702 -0.761 . . . . 74.54 112.476 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -90.72 -16.42 28.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.348 . . . . 62.33 110.885 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.53 -29.89 63.06 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 62.31 112.495 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.743 . . . . 73.03 112.506 -179.918 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.782 0.325 . . . . 74.3 110.874 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' TYR . . . . . 0.684 ' O ' HG22 ' B' ' 6' ' ' THR . 0.1 OUTLIER -121.07 -54.97 1.99 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 75.24 110.972 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.62 ' HB2' HD12 ' B' ' 7' ' ' ILE . 0.9 OUTLIER -53.23 -47.29 69.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.121 -0.49 . . . . 74.41 110.89 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.46 ' O ' HD13 ' B' ' 4' ' ' ILE . 0.0 OUTLIER -68.64 -10.87 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 73.21 111.117 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.846 HG23 HD13 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -95.19 -20.43 19.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 65.03 111.134 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.684 HG22 ' O ' ' B' ' 2' ' ' TYR . 0.1 OUTLIER -116.7 -6.6 11.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.449 . . . . 74.41 111.13 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.62 HD12 ' HB2' ' B' ' 3' ' ' GLU . 84.9 mt -110.52 -13.64 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 73.41 111.118 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.48 -1.38 9.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.87 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -86.23 -59.19 2.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 75.41 110.84 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.11 -6.0 8.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.44 . . . . 74.24 110.951 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' PHE . . . . . 0.754 ' CD1' HG22 ' B' ' 15' ' ' THR . 0.9 OUTLIER -82.95 -0.3 47.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 72.21 110.879 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -61.65 -17.65 56.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 72.44 110.888 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.48 -74.58 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 72.55 110.94 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 19.9 mt -120.2 115.94 24.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 63.3 110.939 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' THR . . . . . 0.754 HG22 ' CD1' ' B' ' 11' ' ' PHE . 2.9 p -87.66 101.98 14.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 71.31 111.113 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -97.68 -122.5 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 70.54 110.921 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.86 -2.18 8.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 74.14 110.879 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 19.8 mt -49.6 -24.52 2.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 72.32 110.942 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -47.96 -61.68 1.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 74.13 110.889 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.418 ' HA ' ' HA3' ' B' ' 24' ' ' GLY . 0.1 OUTLIER -109.23 -30.9 7.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 73.22 110.888 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.5 -16.99 64.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 74.1 110.825 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -123.91 -57.75 1.6 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.249 -0.432 . . . . 72.24 110.919 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -90.23 12.85 16.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 73.21 110.961 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.418 ' HA3' ' HA ' ' B' ' 20' ' ' ARG . . . -106.6 -5.28 36.61 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.76 -0.733 . . . . 71.12 112.528 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.8 -3.45 48.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.982 0.42 . . . . 64.11 110.952 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.76 -52.38 4.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 75.22 111.146 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.687 HD22 ' O ' ' B' ' 27' ' ' LEU . 0.0 OUTLIER -69.27 -1.65 8.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 71.11 110.891 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.475 ' N ' HD13 ' B' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 65.53 110.853 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 29.0 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.798 0.332 . . . . 65.55 111.096 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.38 74.05 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 74.4 111.086 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -111.42 -21.66 11.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 75.45 110.874 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.17 -10.08 84.2 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 70.31 112.433 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -118.0 -14.61 9.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.848 0.356 . . . . 73.12 110.963 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -120.46 -54.26 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 74.2 110.915 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -59.62 -54.84 41.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 72.13 110.834 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -76.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 63.32 110.877 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.595 ' HB3' HD12 ' A' ' 11' ' ' LEU . 18.1 t -121.15 114.92 31.83 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 121.594 0.712 . . . . 75.22 110.876 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 38.88 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.624 2.216 . . . . 74.31 112.348 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.78 ' O ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -103.39 -6.51 21.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 64.02 110.948 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.653 ' N ' HD13 ' A' ' 11' ' ' LEU . 2.0 t80 -120.58 -17.63 8.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 65.34 110.979 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.53 -65.38 1.62 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 74.54 112.535 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.5 pttp -69.22 -30.09 68.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.709 0.29 . . . . 62.33 110.909 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -76.64 -80.11 0.63 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.707 -0.759 . . . . 62.31 112.506 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.692 -0.766 . . . . 73.03 112.517 -179.923 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.814 0.34 . . . . 74.3 110.931 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.9 -54.07 2.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 75.24 110.899 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -52.66 -46.99 67.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 74.41 110.837 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.48 ' O ' HG22 ' B' ' 4' ' ' ILE . 3.1 mp -69.75 -4.74 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 73.21 111.166 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 92.4 m -100.23 -21.49 15.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 65.03 111.175 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.2 t -121.46 -0.4 9.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 74.41 111.114 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.411 ' HA ' ' HB2' ' B' ' 11' ' ' PHE . 1.3 tp -118.59 -14.18 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 73.41 111.084 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.61 6.26 7.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.85 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -99.74 -55.23 2.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 75.41 110.917 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.538 ' H ' HD23 ' B' ' 10' ' ' LEU . 2.2 pt? -120.47 -6.27 9.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 74.24 110.937 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' PHE . . . . . 0.411 ' HB2' ' HA ' ' B' ' 7' ' ' ILE . 0.1 OUTLIER -78.6 1.05 23.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 72.21 110.94 179.886 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 17.0 mtt-85 -48.12 -71.14 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 72.44 110.868 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -121.64 -3.18 9.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 72.55 110.926 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mt -120.33 115.02 22.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 63.3 110.889 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.34 104.12 15.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 71.31 111.154 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.733 ' CB ' HD22 ' B' ' 18' ' ' LEU . 21.9 m-70 -105.24 123.77 48.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 70.54 110.853 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -12.2 44.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 74.14 110.861 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.733 HD22 ' CB ' ' B' ' 16' ' ' HIS . 0.9 OUTLIER -48.87 -23.81 1.23 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.869 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.619 ' N ' HD23 ' B' ' 18' ' ' LEU . 4.0 t80 -50.63 -61.59 2.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.943 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -104.3 -13.06 16.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 73.22 110.841 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.96 -22.65 27.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 74.1 110.861 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -123.12 -43.3 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 72.24 110.913 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -102.89 13.13 35.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 73.21 110.845 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.23 -16.78 62.02 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.748 -0.739 . . . . 71.12 112.467 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -59.96 -32.7 71.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.0 0.429 . . . . 64.11 110.971 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -91.65 -53.2 4.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 75.22 111.101 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.31 -1.8 7.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 71.11 110.9 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 65.53 110.865 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.792 0.33 . . . . 74.4 111.072 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.98 -4.09 9.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 75.45 110.904 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.25 -1.36 55.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 70.31 112.511 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.417 ' CD1' ' HB ' ' B' ' 5' ' ' THR . 19.9 m0 -116.43 -10.36 11.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.826 0.346 . . . . 73.12 110.935 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.59 -44.83 2.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 74.2 110.926 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -73.32 -49.92 24.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 72.13 110.879 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -77.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 63.32 110.89 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.441 ' C ' ' H ' ' A' ' 11' ' ' LEU . 67.4 m -120.66 122.45 28.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.585 0.707 . . . . 75.22 110.857 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 36.83 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.731 2.288 . . . . 74.31 112.348 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.517 HD13 ' HD2' ' B' ' 1' ' ' LYS . 25.3 mt -90.52 -52.02 5.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 64.02 110.893 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -82.74 -14.21 54.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 65.34 110.887 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -104.13 -87.5 2.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.773 -0.727 . . . . 74.54 112.459 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.35 -50.02 52.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.368 . . . . 62.33 110.902 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.48 -35.35 68.32 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 62.31 112.453 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 73.03 112.496 -179.921 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . 0.517 ' HD2' HD13 ' A' ' 11' ' ' LEU . 6.9 mtmm . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.826 0.346 . . . . 74.3 110.869 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.24 -55.2 2.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 75.24 110.906 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -53.85 -45.14 70.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 74.41 110.895 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.486 HD12 ' O ' ' B' ' 4' ' ' ILE . 1.7 pp -73.22 0.38 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 73.21 111.142 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.417 ' HB ' ' CD1' ' A' ' 5' ' ' TRP . 0.3 OUTLIER -103.25 -25.94 13.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 65.03 111.134 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.0 t -117.46 -3.78 11.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 74.41 111.131 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.69 HD11 ' N ' ' B' ' 19' ' ' PHE . 23.0 mm -121.66 -1.82 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 73.41 111.13 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -116.35 -15.5 10.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 74.41 110.899 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -72.93 -61.79 1.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 75.41 110.899 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -124.37 -5.05 7.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 74.24 110.943 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . 0.446 ' HA ' ' HB2' ' B' ' 14' ' ' LEU . 0.6 OUTLIER -110.37 21.79 16.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 72.21 110.816 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -50.16 -33.95 20.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 72.44 110.843 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.457 ' O ' HD22 ' B' ' 14' ' ' LEU . 1.3 ttmt -119.58 24.57 10.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 72.55 110.902 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.457 HD22 ' O ' ' B' ' 13' ' ' LYS . 4.2 mm? -122.76 123.16 40.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 63.3 110.923 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . 0.439 ' C ' ' O ' ' B' ' 14' ' ' LEU . 0.1 OUTLIER -34.05 122.65 0.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 71.31 111.156 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.423 ' HA ' HD12 ' B' ' 7' ' ' ILE . 30.3 p-80 -48.13 97.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 70.54 110.841 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.9 -50.42 1.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 74.14 110.859 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 16.5 mt -57.36 -14.77 5.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 72.32 110.883 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.69 ' N ' HD11 ' B' ' 7' ' ' ILE . 5.8 t80 -55.18 -53.04 60.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 74.13 110.881 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.07 -15.98 11.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 73.22 110.851 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 10.2 mmm-85 -86.68 -17.61 33.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 74.1 110.874 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -121.5 -47.44 2.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 72.24 110.866 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -102.49 13.62 34.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 73.21 110.877 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.2 -20.06 14.87 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.791 -0.719 . . . . 71.12 112.525 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.85 -15.81 61.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.935 0.397 . . . . 64.11 110.948 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.4 HG22 ' N ' ' B' ' 27' ' ' LEU . 1.0 OUTLIER -93.83 -54.54 3.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 75.22 111.128 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.4 ' N ' HG22 ' B' ' 26' ' ' THR . 0.4 OUTLIER -71.58 0.51 8.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 71.11 110.96 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 65.53 110.851 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.791 0.329 . . . . 74.4 111.16 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -120.48 -17.4 8.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 75.45 110.908 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.6 -17.64 73.05 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.744 -0.741 . . . . 70.31 112.481 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.507 ' HA ' HG21 ' B' ' 5' ' ' THR . 3.9 m0 -124.48 -2.86 7.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.882 0.373 . . . . 73.12 110.95 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.22 -41.92 2.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 74.2 110.922 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.34 -50.41 14.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 72.13 110.854 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -79.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 63.32 110.931 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.531 ' HB2' HG23 ' B' ' 5' ' ' THR . 13.2 m -121.15 121.67 28.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 75.22 110.922 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.66 38.36 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.708 2.272 . . . . 74.31 112.375 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.433 ' H ' ' C ' ' A' ' 9' ' ' CYS . 4.7 mt -78.87 -60.24 2.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 64.02 110.909 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.439 ' HB3' ' HB3' ' A' ' 5' ' ' TRP . 68.9 t80 -94.05 -33.29 13.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 65.34 110.92 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.31 -76.95 0.39 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 74.54 112.465 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -78.13 -24.1 47.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.341 . . . . 62.33 110.919 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.24 -50.0 4.48 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.747 -0.74 . . . . 62.31 112.517 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.8 -0.714 . . . . 73.03 112.445 -179.903 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.761 0.315 . . . . 74.3 110.896 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . 0.757 ' O ' HG22 ' B' ' 6' ' ' THR . 8.1 p90 -50.16 -32.26 15.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 75.24 110.929 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.86 -54.85 7.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.031 -0.531 . . . . 74.41 110.878 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 3.1 mp -61.75 -15.53 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 73.21 111.108 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.531 HG23 ' HB2' ' A' ' 9' ' ' CYS . 0.2 OUTLIER -96.01 -22.38 17.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 65.03 111.126 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.757 HG22 ' O ' ' B' ' 2' ' ' TYR . 0.2 OUTLIER -112.67 1.49 15.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 74.41 111.167 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.609 ' HA ' HD22 ' B' ' 10' ' ' LEU . 29.6 mm -112.96 -26.14 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 73.41 111.063 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.85 -7.99 16.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.847 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -120.06 17.09 12.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 75.41 110.959 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.645 HD13 ' O ' ' B' ' 6' ' ' THR . 0.8 OUTLIER -116.51 -18.78 10.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 74.24 110.945 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . 0.551 ' N ' HD23 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -77.08 -9.18 58.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 72.21 110.92 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 8.8 mtt-85 -107.06 -36.15 6.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 72.44 110.899 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -121.35 33.03 5.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 72.55 110.928 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.79 -29.61 3.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 63.3 110.858 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . 0.52 HG23 ' CD2' ' B' ' 16' ' ' HIS . 8.8 t -50.48 -33.96 23.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 71.31 111.174 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.52 ' CD2' HG23 ' B' ' 15' ' ' THR . 40.5 m170 -71.12 121.44 18.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 70.54 110.868 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.63 32.63 2.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 74.14 110.85 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 5.6 mt -119.27 20.51 12.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.93 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.405 ' CE1' ' HB ' ' B' ' 6' ' ' THR . 0.1 OUTLIER -120.76 -41.89 2.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 74.13 110.928 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 3.3 mmt85 -106.22 -32.0 8.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 73.22 110.896 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -90.91 -10.57 42.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 74.1 110.906 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -120.88 -42.9 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 72.24 110.954 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.577 ' O ' HD23 ' B' ' 27' ' ' LEU . 16.3 m-85 -104.54 11.0 34.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 73.21 110.892 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.99 -32.84 2.52 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.705 -0.759 . . . . 71.12 112.551 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.01 -11.58 60.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.884 0.374 . . . . 64.11 110.849 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -91.04 -53.6 4.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 75.22 111.167 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.729 HD22 ' CD2' ' B' ' 2' ' ' TYR . 2.8 pp -69.03 -2.52 10.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 71.11 110.931 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 65.53 110.856 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.744 0.307 . . . . 74.4 111.158 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -118.39 -15.0 9.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 75.45 110.881 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.85 -13.27 83.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 70.31 112.531 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.684 ' CD1' HG23 ' B' ' 6' ' ' THR . 38.3 m0 -117.29 -13.37 10.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.888 0.375 . . . . 73.12 110.926 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.01 -45.18 3.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 74.2 110.936 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.89 -50.94 8.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 72.13 110.914 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -59.08 -76.24 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 63.32 110.864 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.437 ' C ' ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -120.3 118.84 31.0 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.543 0.687 . . . . 75.22 110.873 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 37.1 0.24 Allowed 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.692 2.261 . . . . 74.31 112.348 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.437 ' H ' ' C ' ' A' ' 9' ' ' CYS . 3.7 mt -89.14 -34.91 16.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.28 -0.418 . . . . 64.02 110.923 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -108.08 -26.56 10.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 65.34 110.871 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.04 -94.1 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 74.54 112.468 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.21 -24.35 63.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.811 0.339 . . . . 62.33 110.967 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -106.44 33.51 6.4 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.701 -0.761 . . . . 62.31 112.467 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 73.03 112.484 -179.943 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 21.8 mttp . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.773 0.321 . . . . 74.3 110.94 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -119.98 -52.58 2.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 75.24 110.858 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.466 ' HB2' HD12 ' B' ' 7' ' ' ILE . 9.4 pt-20 -54.67 -45.85 73.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 74.41 110.831 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 1.5 pp -68.8 -6.66 6.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 73.21 111.111 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 94.0 m -101.65 -24.61 14.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 65.03 111.153 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.684 HG23 ' CD1' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -109.08 -4.75 16.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 74.41 111.138 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.466 HD12 ' HB2' ' B' ' 3' ' ' GLU . 85.8 mt -106.96 -36.4 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 73.41 111.166 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -63.89 -33.39 75.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 74.41 110.837 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -106.31 20.34 19.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 75.41 110.875 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.631 HD22 ' HB2' ' B' ' 19' ' ' PHE . 9.7 tp -119.12 -28.41 5.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 74.24 110.992 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -53.88 -24.23 15.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 72.21 110.856 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -69.5 -50.86 41.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 72.44 110.829 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -123.59 62.11 1.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 72.55 110.93 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' B' ' 15' ' ' THR . 3.2 pp -47.48 -24.8 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 63.3 110.943 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . 0.42 HG23 ' N ' ' B' ' 16' ' ' HIS . 2.6 t -36.66 -46.75 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 71.31 111.177 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.42 ' N ' HG23 ' B' ' 15' ' ' THR . 13.3 p80 -89.22 124.86 34.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 70.54 110.833 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 67.6 mmt-85 -91.36 25.85 2.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.881 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.556 HD12 ' N ' ' B' ' 19' ' ' PHE . 4.6 pp -47.83 -26.38 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 72.32 110.9 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.631 ' HB2' HD22 ' B' ' 10' ' ' LEU . 3.4 t80 -53.44 -52.22 60.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 74.13 110.876 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.438 ' HA ' ' HA3' ' B' ' 24' ' ' GLY . 10.8 ptm180 -107.8 -40.46 5.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 73.22 110.931 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 10.8 mmt-85 -61.54 -17.8 56.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 74.1 110.87 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.4 ' HB2' ' HA ' ' B' ' 18' ' ' LEU . 18.7 t30 -123.94 -57.04 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 72.24 110.863 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -90.11 15.68 9.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 73.21 110.859 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.438 ' HA3' ' HA ' ' B' ' 20' ' ' ARG . . . -112.31 -22.22 5.92 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.772 -0.728 . . . . 71.12 112.457 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -79.05 -12.35 60.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.885 0.374 . . . . 64.11 110.855 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -101.39 -54.08 2.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 75.22 111.121 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.404 HD12 ' HH2' ' A' ' 5' ' ' TRP . 0.7 OUTLIER -72.16 1.35 7.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 71.11 110.93 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 65.53 110.853 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.773 0.32 . . . . 74.4 111.121 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.44 -16.14 11.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 75.45 110.853 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.33 -5.68 84.92 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 70.31 112.508 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -119.05 -16.79 9.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 73.12 110.927 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -121.12 -54.35 2.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 74.2 110.905 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -54.95 40.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 72.13 110.832 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -59.48 -77.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 63.32 110.943 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.451 ' C ' ' H ' ' A' ' 11' ' ' LEU . 6.3 t -120.81 120.83 29.27 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.587 0.708 . . . . 75.22 110.894 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 37.01 0.24 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.698 2.266 . . . . 74.31 112.309 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.578 ' HB2' HG23 ' B' ' 5' ' ' THR . 13.2 mt -85.29 -38.76 18.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.442 . . . . 64.02 110.945 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -103.37 -25.58 13.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 65.34 110.893 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.28 -106.05 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.767 -0.73 . . . . 74.54 112.428 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 pttp -56.08 -25.23 44.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 62.33 110.891 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -99.86 38.9 2.92 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.73 -0.748 . . . . 62.31 112.512 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 73.03 112.498 -179.914 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.77 0.319 . . . . 74.3 110.879 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . 0.66 ' O ' HG22 ' B' ' 6' ' ' THR . 9.1 p90 -50.98 -40.6 58.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 75.24 110.951 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.723 ' HB2' HD12 ' B' ' 7' ' ' ILE . 15.8 pt-20 -50.94 -47.42 61.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 74.41 110.887 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.505 ' O ' HG22 ' B' ' 4' ' ' ILE . 3.0 mp -70.34 -5.02 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 73.21 111.11 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.578 HG23 ' HB2' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -103.8 -16.75 15.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 65.03 111.167 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.66 HG22 ' O ' ' B' ' 2' ' ' TYR . 0.1 OUTLIER -122.77 -2.6 8.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 74.41 111.182 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.723 HD12 ' HB2' ' B' ' 3' ' ' GLU . 60.5 mt -118.61 -14.2 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 73.41 111.133 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -124.46 1.51 8.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 74.41 110.858 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . 0.523 ' HB3' HD23 ' B' ' 10' ' ' LEU . 8.0 m-20 -92.02 -60.17 1.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 75.41 110.951 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.863 HD12 HD13 ' B' ' 18' ' ' LEU . 0.1 OUTLIER -121.24 -1.48 9.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 74.24 110.915 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . 0.667 ' CD1' HG22 ' B' ' 15' ' ' THR . 0.5 OUTLIER -84.26 -11.83 55.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 72.21 110.87 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -75.03 -6.41 49.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 72.44 110.837 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.413 ' C ' HD12 ' B' ' 14' ' ' LEU . 0.3 OUTLIER -120.29 -72.17 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 72.55 110.944 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.413 HD12 ' C ' ' B' ' 13' ' ' LYS . 10.9 mp -120.81 117.85 28.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 63.3 110.868 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . 0.667 HG22 ' CD1' ' B' ' 11' ' ' PHE . 1.7 p -95.71 101.14 12.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 71.31 111.13 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -117.36 -120.22 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 70.54 110.87 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.65 55.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 74.14 110.878 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.863 HD13 HD12 ' B' ' 10' ' ' LEU . 1.6 mt -116.03 21.9 13.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 72.32 110.884 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -113.65 -47.97 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 74.13 110.9 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 21.3 mtt-85 -114.91 -32.01 5.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.493 . . . . 73.22 110.923 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -80.11 -9.62 59.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 74.1 110.876 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -121.89 -53.47 1.96 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 72.24 110.891 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -101.88 15.25 29.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 73.21 110.901 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.59 -28.17 3.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 71.12 112.408 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.45 -12.06 59.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.947 0.403 . . . . 64.11 110.866 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.406 HG22 HD22 ' B' ' 27' ' ' LEU . 1.1 m -100.54 -53.84 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 75.22 111.204 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.406 HD22 HG22 ' B' ' 26' ' ' THR . 2.7 mm? -69.45 -1.5 8.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 71.11 110.942 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 65.53 110.861 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.788 0.327 . . . . 74.4 111.139 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.64 -17.01 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 75.45 110.868 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.97 -10.87 85.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 70.31 112.426 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.43 ' HE1' HG22 ' B' ' 6' ' ' THR . 15.0 m0 -118.22 -7.65 10.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.773 0.321 . . . . 73.12 110.9 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.54 -46.07 2.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 74.2 110.906 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.18 -55.18 3.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 72.13 110.927 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -49.6 -75.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 63.32 110.882 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.439 ' HB3' HD12 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -120.43 115.64 32.51 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.596 0.712 . . . . 75.22 110.887 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.66 36.59 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.67 2.247 . . . . 74.31 112.377 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.578 HD13 ' HB ' ' B' ' 4' ' ' ILE . 4.3 mt -91.56 -34.43 14.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 64.02 110.982 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -99.95 -32.7 10.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 65.34 110.876 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.71 -99.11 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.72 -0.752 . . . . 74.54 112.515 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -22.68 66.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.881 0.372 . . . . 62.33 110.9 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.27 -32.73 68.32 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.812 -0.709 . . . . 62.31 112.464 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 73.03 112.469 -179.896 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 3.2 mttp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.788 0.328 . . . . 74.3 110.863 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . 0.533 ' O ' HG23 ' B' ' 6' ' ' THR . 2.6 p90 -113.81 -43.36 3.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.414 . . . . 75.24 110.948 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.531 ' O ' HG23 ' B' ' 7' ' ' ILE . 0.7 OUTLIER -50.02 -51.05 45.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 74.41 110.864 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.578 ' HB ' HD13 ' A' ' 11' ' ' LEU . 6.2 mm -64.21 -12.02 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 73.21 111.185 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.58 -23.95 18.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 65.03 111.067 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.533 HG23 ' O ' ' B' ' 2' ' ' TYR . 0.1 OUTLIER -97.09 -37.55 10.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 74.41 111.202 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.531 HG23 ' O ' ' B' ' 3' ' ' GLU . 11.9 pt -70.92 -36.93 66.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 73.41 111.086 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -76.23 -23.94 54.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.863 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -99.91 -5.73 27.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 75.41 110.889 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.652 HD13 HD11 ' B' ' 18' ' ' LEU . 13.4 tp -82.18 -36.42 27.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 74.24 110.852 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -6.6 41.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 72.21 110.81 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -76.02 -74.78 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 72.44 110.896 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -120.99 44.67 2.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 72.55 110.906 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.534 ' HA ' HD21 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -44.59 102.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 63.3 110.928 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 1.1 p -100.2 -92.05 0.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 71.31 111.185 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -123.67 -83.37 0.65 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 70.54 110.844 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -122.53 68.63 0.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 74.14 110.878 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.652 HD11 HD13 ' B' ' 10' ' ' LEU . 0.6 OUTLIER -94.9 22.05 6.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 72.32 110.878 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.445 ' CE1' HG21 ' B' ' 6' ' ' THR . 4.5 t80 -121.93 -51.81 2.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 74.13 110.894 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -98.87 -43.36 6.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 73.22 110.819 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.6 -1.29 33.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 74.1 110.913 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -122.98 -55.2 1.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 72.24 110.893 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -103.04 14.72 31.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 73.21 110.915 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.83 -22.67 5.27 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.633 -0.794 . . . . 71.12 112.44 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -79.14 -12.29 59.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.972 0.415 . . . . 64.11 110.94 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.65 -53.99 3.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 75.22 111.181 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.04 1.04 7.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 71.11 110.953 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 65.53 110.877 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.749 0.309 . . . . 74.4 111.091 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -114.29 -19.28 11.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 75.45 110.894 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.3 -11.07 82.23 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 70.31 112.463 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 7.7 m0 -119.81 -8.78 9.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.868 0.366 . . . . 73.12 110.961 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.23 -46.71 2.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 74.2 110.9 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.11 -54.04 4.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 72.13 110.89 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 63.32 110.928 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.453 ' C ' ' H ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -120.25 117.6 31.77 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.614 0.721 . . . . 75.22 110.909 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 36.41 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.622 2.215 . . . . 74.31 112.369 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.627 HD13 ' HG2' ' B' ' 1' ' ' LYS . 79.6 mt -94.28 -34.02 13.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 64.02 110.854 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -106.83 -17.95 14.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 65.34 110.898 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.93 -101.94 0.33 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.772 -0.727 . . . . 74.54 112.47 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -28.36 65.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 62.33 110.827 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.21 -44.29 66.93 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 62.31 112.405 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 73.03 112.431 -179.824 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . 0.627 ' HG2' HD13 ' A' ' 11' ' ' LEU . 2.9 mptm? . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.777 0.323 . . . . 74.3 110.867 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . 0.71 ' O ' HG22 ' B' ' 6' ' ' THR . 0.1 OUTLIER -120.41 -49.27 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.904 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.668 ' HB2' HD12 ' B' ' 7' ' ' ILE . 12.4 pt-20 -52.34 -48.2 65.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 74.41 110.895 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -73.1 0.64 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 73.21 111.128 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.16 -19.75 13.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 65.03 111.141 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.71 HG22 ' O ' ' B' ' 2' ' ' TYR . 0.0 OUTLIER -119.45 -9.6 9.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.408 . . . . 74.41 111.094 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.668 HD12 ' HB2' ' B' ' 3' ' ' GLU . 70.2 mt -106.57 -13.83 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 73.41 111.072 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.09 -1.11 9.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 74.41 110.869 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -87.13 -59.34 2.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 75.41 110.891 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.498 ' H ' HD23 ' B' ' 10' ' ' LEU . 1.9 pt? -121.88 -6.12 9.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.959 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . 0.79 ' CD1' HG22 ' B' ' 15' ' ' THR . 0.1 OUTLIER -79.61 -3.71 48.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 72.21 110.922 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.28 -7.48 52.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 72.44 110.82 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -120.09 -74.43 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 72.55 110.93 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -107.53 108.67 20.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 63.3 110.902 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . 0.79 HG22 ' CD1' ' B' ' 11' ' ' PHE . 2.4 p -99.33 100.62 11.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 71.31 111.11 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -122.29 -100.81 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 70.54 110.867 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 16.3 ptt-85 -126.61 33.4 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 74.14 110.904 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.468 HD13 HD11 ' B' ' 10' ' ' LEU . 4.7 mt -93.56 26.22 3.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 72.32 110.946 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.567 ' CZ ' HD11 ' B' ' 7' ' ' ILE . 5.6 t80 -112.64 -50.25 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 74.13 110.812 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.03 -36.93 3.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.22 110.863 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.83 -7.45 52.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 74.1 110.882 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -123.59 -57.76 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 72.24 110.891 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -99.17 15.14 26.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 73.21 110.856 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.88 -15.42 14.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 71.12 112.487 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -78.13 -15.35 58.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.005 0.431 . . . . 64.11 110.941 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.424 HG22 ' N ' ' B' ' 27' ' ' LEU . 1.0 OUTLIER -80.3 -53.26 6.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 75.22 111.181 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.424 ' N ' HG22 ' B' ' 26' ' ' THR . 0.5 OUTLIER -71.28 0.02 8.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 71.11 110.96 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 65.53 110.894 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.82 0.343 . . . . 74.4 111.166 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.63 -3.49 9.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 75.45 110.869 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.13 1.78 40.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 70.31 112.456 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.473 ' CD1' HG23 ' B' ' 6' ' ' THR . 6.4 m0 -120.26 -23.04 6.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.86 0.362 . . . . 73.12 110.942 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.89 -58.03 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 74.2 110.866 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -59.63 -57.61 12.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 72.13 110.864 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -54.86 -75.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 63.32 110.899 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.477 ' HB3' HG23 ' B' ' 5' ' ' THR . 0.1 OUTLIER -120.07 122.34 29.0 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.643 0.735 . . . . 75.22 110.855 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 37.3 0.24 Allowed 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.673 2.249 . . . . 74.31 112.343 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.45 ' H ' ' C ' ' A' ' 9' ' ' CYS . 52.3 mt -87.55 -35.25 18.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 64.02 110.908 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -111.62 -24.44 10.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 65.34 110.846 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.1 -109.8 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.753 -0.737 . . . . 74.54 112.529 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -59.51 -22.65 61.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 62.33 110.909 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -93.29 23.11 31.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 62.31 112.501 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.204 0 C-N-CA 120.714 -0.755 . . . . 73.03 112.453 -179.886 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.86 0.362 . . . . 74.3 110.883 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.68 -48.21 2.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 75.24 110.907 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -54.92 -47.43 74.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 74.41 110.795 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.89 -6.03 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 73.21 111.075 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.477 HG23 ' HB3' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -101.36 -33.48 10.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 65.03 111.123 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.473 HG23 ' CD1' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -92.41 -38.23 12.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 74.41 111.105 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 87.1 mt -67.44 -38.79 81.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 73.41 111.051 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.83 -3.62 42.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 74.41 110.871 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -117.8 -4.13 11.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 75.41 110.927 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.582 HD21 ' HA ' ' B' ' 16' ' ' HIS . 0.4 OUTLIER -120.22 -18.68 7.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 74.24 110.896 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.29 -25.18 5.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 72.21 110.886 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -56.84 -22.92 40.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 72.44 110.933 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -105.33 -74.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 72.55 110.904 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 mp -116.79 -122.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 63.3 110.9 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . 0.498 ' O ' HD11 ' B' ' 10' ' ' LEU . 0.7 OUTLIER -121.17 -90.9 0.57 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 71.31 111.093 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.582 ' HA ' HD21 ' B' ' 10' ' ' LEU . 19.3 p-80 -123.51 83.88 2.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 70.54 110.906 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -120.87 -52.75 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.14 110.911 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 34.8 mt -64.55 -7.52 10.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 72.32 110.904 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -65.69 -50.0 66.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.866 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -117.42 -35.39 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 73.22 110.857 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -18.79 65.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 74.1 110.888 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -123.22 -53.4 1.83 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 72.24 110.881 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.695 ' O ' HD23 ' B' ' 27' ' ' LEU . 22.7 m-85 -91.19 12.42 20.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 73.21 110.919 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.03 -23.8 5.41 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.81 -0.71 . . . . 71.12 112.524 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.71 -11.89 60.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.967 0.413 . . . . 64.11 110.927 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.05 -53.84 3.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 75.22 111.147 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.695 HD23 ' O ' ' B' ' 23' ' ' PHE . 1.3 pp -70.14 -1.39 9.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.284 -0.416 . . . . 71.11 110.931 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 65.53 110.859 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.857 0.361 . . . . 74.4 111.132 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.75 -18.05 10.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.218 -0.446 . . . . 75.45 110.877 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.55 -9.88 85.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 70.31 112.41 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.1 m0 -118.5 -11.81 9.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.768 0.318 . . . . 73.12 110.926 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.43 -48.1 2.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 74.2 110.878 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -82.09 -50.42 9.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.408 . . . . 72.13 110.89 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -50.29 -70.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 63.32 110.947 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.431 ' C ' ' H ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -120.3 116.38 32.35 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.577 0.703 . . . . 75.22 110.914 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.76 37.52 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.661 2.24 . . . . 74.31 112.32 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.431 ' H ' ' C ' ' A' ' 9' ' ' CYS . 95.2 mt -112.06 -18.63 12.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 64.02 110.927 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.92 -20.19 12.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 65.34 110.857 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -120.12 -77.01 0.49 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 74.54 112.44 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.0 -57.59 7.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.807 0.337 . . . . 62.33 110.853 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -96.33 30.04 9.29 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 62.31 112.506 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 73.03 112.516 -179.903 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.831 0.348 . . . . 74.3 110.953 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . 0.426 ' O ' HG22 ' B' ' 6' ' ' THR . 0.1 OUTLIER -120.16 -49.35 2.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 75.24 110.958 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -53.54 -47.69 69.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 74.41 110.918 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.56 -4.25 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 73.21 111.11 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 88.5 m -99.45 -26.79 14.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 65.03 111.152 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.426 HG22 ' O ' ' B' ' 2' ' ' TYR . 1.8 t -109.43 -8.92 14.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 74.41 111.198 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.803 HD13 HD23 ' B' ' 10' ' ' LEU . 22.6 mm -94.74 -31.97 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 73.41 111.15 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.49 -24.3 66.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.856 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -115.59 14.43 16.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 75.41 110.88 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.803 HD23 HD13 ' B' ' 7' ' ' ILE . 9.0 tp -120.44 -26.34 5.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 74.24 110.865 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . 0.413 ' CD1' HG23 ' B' ' 7' ' ' ILE . 0.3 OUTLIER -64.73 -7.68 11.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 72.21 110.991 179.848 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -44.77 -83.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 72.44 110.848 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -124.86 7.37 8.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 72.55 110.897 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.482 ' HB2' HD12 ' B' ' 10' ' ' LEU . 3.2 mt -121.78 121.09 36.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 63.3 110.932 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.04 -94.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 71.31 111.129 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -125.1 80.81 1.91 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.203 -0.453 . . . . 70.54 110.829 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.68 -64.94 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 74.14 110.895 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.632 HD12 HD13 ' B' ' 10' ' ' LEU . 8.8 mt -68.86 3.23 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 72.32 110.873 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -81.61 -48.25 11.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 74.13 110.875 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -116.63 -34.27 4.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 73.22 110.84 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 35.6 mmm-85 -70.98 -8.65 54.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 74.1 110.847 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . 0.538 ' ND2' HD23 ' B' ' 18' ' ' LEU . 2.2 m-80 -122.77 -61.77 1.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 72.24 110.924 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -95.41 16.13 17.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 73.21 110.859 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.34 -18.54 8.55 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.73 -0.748 . . . . 71.12 112.489 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -80.54 -11.55 59.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.95 0.405 . . . . 64.11 110.891 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.4 HG22 ' N ' ' B' ' 27' ' ' LEU . 1.0 OUTLIER -94.93 -54.26 3.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 75.22 111.122 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.428 ' C ' HD12 ' B' ' 27' ' ' LEU . 4.3 pp -70.47 -0.99 9.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 71.11 110.892 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 65.53 110.917 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.776 0.322 . . . . 74.4 111.117 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -119.93 -13.57 9.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 75.45 110.875 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.64 -12.8 84.14 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.737 -0.744 . . . . 70.31 112.446 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.424 ' CZ2' ' HB2' ' B' ' 2' ' ' TYR . 21.3 m0 -116.84 -12.85 10.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.775 0.321 . . . . 73.12 110.924 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.67 -46.93 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 74.2 110.902 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.79 -49.51 14.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 72.13 110.831 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -74.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 63.32 110.909 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.642 ' SG ' HD23 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -119.21 121.05 30.55 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.557 0.694 . . . . 75.22 110.941 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.87 37.27 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.669 2.246 . . . . 74.31 112.322 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.642 HD23 ' SG ' ' A' ' 9' ' ' CYS . 1.4 pp -110.54 -30.01 7.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 64.02 110.926 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -104.87 -17.61 14.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 65.34 110.855 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.1 -83.09 0.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.696 -0.764 . . . . 74.54 112.487 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -73.1 -24.99 60.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.859 0.361 . . . . 62.33 110.878 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.66 -66.39 2.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.811 -0.709 . . . . 62.31 112.468 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 C-N-CA 120.8 -0.714 . . . . 73.03 112.57 -179.904 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 6.2 mttt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.837 0.351 . . . . 74.3 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . 0.424 ' HB2' ' CZ2' ' A' ' 5' ' ' TRP . 0.1 OUTLIER -120.8 -48.92 2.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 75.24 110.887 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.493 ' HB2' HD12 ' B' ' 7' ' ' ILE . 9.3 pt-20 -53.55 -47.7 69.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 74.41 110.943 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.22 -8.01 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 73.21 111.154 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.03 -27.01 14.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 65.03 111.144 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.419 HG22 ' O ' ' B' ' 2' ' ' TYR . 2.9 t -108.5 -2.99 18.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 74.41 111.168 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.493 HD12 ' HB2' ' B' ' 3' ' ' GLU . 76.3 mt -105.97 -29.3 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 73.41 111.142 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -62.88 -36.42 83.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.907 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.6 16.62 25.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 75.41 110.853 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.611 HD21 ' H ' ' B' ' 17' ' ' ARG . 2.3 tp -118.55 -32.12 4.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 74.24 110.916 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . 0.418 ' O ' ' C ' ' B' ' 12' ' ' ARG . 0.3 OUTLIER -56.58 -15.2 3.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 72.21 110.933 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' B' ' 11' ' ' PHE . 5.3 mtt180 -37.1 -73.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 72.44 110.838 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -120.84 -15.14 8.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 72.55 110.851 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.645 HD22 ' HG2' ' B' ' 17' ' ' ARG . 21.0 mt -116.44 110.69 18.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 63.3 110.934 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . 0.565 HG23 ' H ' ' B' ' 16' ' ' HIS . 0.1 OUTLIER -48.39 -82.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 71.31 111.148 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.565 ' H ' HG23 ' B' ' 15' ' ' THR . 0.3 OUTLIER -126.11 82.48 2.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 70.54 110.832 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.645 ' HG2' HD22 ' B' ' 14' ' ' LEU . 0.7 OUTLIER -121.0 -72.37 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 74.14 110.883 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 21.6 mt -58.56 -8.29 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 72.32 110.901 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -65.59 -51.85 56.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.888 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 24.7 mtp85 -115.08 -12.97 11.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 73.22 110.879 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 1.4 mmt-85 -90.22 -16.93 28.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 74.1 110.946 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -121.09 -46.98 2.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 72.24 110.888 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . 0.615 ' O ' HD23 ' B' ' 27' ' ' LEU . 75.6 m-85 -105.92 15.26 26.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 73.21 110.879 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.11 -20.57 23.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.741 . . . . 71.12 112.468 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.06 -2.07 46.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.032 0.444 . . . . 64.11 110.933 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.407 HG22 ' N ' ' B' ' 27' ' ' LEU . 1.1 m -109.25 -54.84 2.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 75.22 111.157 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.615 HD23 ' O ' ' B' ' 23' ' ' PHE . 1.3 pp -70.73 -0.57 9.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 71.11 110.896 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 65.53 110.848 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.798 0.332 . . . . 74.4 111.069 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.6 -9.25 9.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 75.45 110.875 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.47 ' O ' HG22 ' B' ' 5' ' ' THR . . . -87.31 -8.5 74.58 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.755 -0.736 . . . . 70.31 112.465 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.78 ' CD1' HG23 ' B' ' 6' ' ' THR . 1.1 m0 -123.64 -33.66 3.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.869 0.366 . . . . 73.12 110.91 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -54.74 7.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 74.2 110.877 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -65.12 -20.42 66.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 72.13 110.829 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.776 ' HG3' HD12 ' A' ' 11' ' ' LEU . 3.4 mptp? -77.89 80.18 4.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 63.32 110.865 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.497 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -72.7 -59.87 2.21 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.579 0.704 . . . . 75.22 110.898 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.9 Cg_endo -69.7 -6.36 18.39 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.688 2.259 . . . . 74.31 112.343 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.776 HD12 ' HG3' ' A' ' 8' ' ' LYS . 15.0 mt -105.49 -61.07 1.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.409 . . . . 64.02 110.911 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.836 ' HB2' HG21 ' B' ' 5' ' ' THR . 25.8 t80 -89.34 -42.06 11.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 65.34 110.873 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.52 -99.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.669 -0.777 . . . . 74.54 112.5 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -75.13 -16.51 60.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 62.33 110.917 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.21 -27.03 30.53 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 62.31 112.491 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 C-N-CA 120.75 -0.738 . . . . 73.03 112.561 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 1.8 mttt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.77 0.319 . . . . 74.3 110.962 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.8 -59.94 1.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 75.24 110.853 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -54.52 -44.1 72.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 74.41 110.915 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 tp -69.4 -7.16 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 73.21 111.152 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.836 HG21 ' HB2' ' A' ' 12' ' ' PHE . 24.0 m -95.74 -33.68 12.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 65.03 111.163 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.78 HG23 ' CD1' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -94.84 -37.3 11.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 74.41 111.131 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 97.7 mt -65.87 -36.02 76.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 73.41 111.134 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -79.51 -6.16 56.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.893 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -120.95 -0.13 10.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.893 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.523 HD22 ' HB2' ' B' ' 19' ' ' PHE . 1.1 pp -121.3 -18.05 7.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 74.24 110.962 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.72 -27.77 19.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 72.21 110.873 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -62.89 -62.71 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 72.44 110.89 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' B' ' 15' ' ' THR . 19.8 mttm -122.86 63.36 0.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 72.55 110.94 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.81 76.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 63.3 110.886 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . 0.525 ' N ' ' O ' ' B' ' 13' ' ' LYS . 1.0 OUTLIER -126.12 -37.71 2.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 71.31 111.147 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.424 ' HB3' HD23 ' B' ' 18' ' ' LEU . 95.6 m-70 -83.0 125.1 31.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 70.54 110.83 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.07 3.85 11.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 74.14 110.896 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.424 HD23 ' HB3' ' B' ' 16' ' ' HIS . 3.6 pp -49.85 -24.96 2.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 72.32 110.969 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.523 ' HB2' HD22 ' B' ' 10' ' ' LEU . 3.1 t80 -48.24 -58.82 4.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.849 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.408 ' HA ' ' HA3' ' B' ' 24' ' ' GLY . 24.6 ptt85 -107.76 -29.22 9.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 73.22 110.874 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -70.15 -18.36 63.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 74.1 110.81 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -122.86 -55.15 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 72.24 110.888 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -91.33 14.02 15.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.882 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.408 ' HA3' ' HA ' ' B' ' 20' ' ' ARG . . . -112.35 -22.56 5.79 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.72 -0.752 . . . . 71.12 112.458 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -79.05 -11.94 60.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.974 0.416 . . . . 64.11 110.911 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.409 HG22 HD22 ' B' ' 27' ' ' LEU . 1.1 m -97.41 -54.02 3.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 75.22 111.132 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.409 HD22 HG22 ' B' ' 26' ' ' THR . 2.6 mm? -69.46 -1.53 8.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 71.11 110.916 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 3.8 ttt85 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 65.53 110.908 179.898 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.766 0.317 . . . . 74.4 111.091 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.7 -8.26 9.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 75.45 110.889 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.35 -5.52 67.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 70.31 112.515 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -116.64 -5.24 11.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.851 0.357 . . . . 73.12 110.86 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.52 -33.36 5.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 74.2 110.932 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -56.69 -23.29 41.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 72.13 110.875 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.595 ' HG2' HD12 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -110.22 109.94 20.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 63.32 110.911 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.651 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -71.16 -51.52 10.25 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.569 0.699 . . . . 75.22 110.841 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.651 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.7 Cg_endo -69.78 16.65 0.21 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.704 2.269 . . . . 74.31 112.344 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.881 HD13 HG23 ' B' ' 5' ' ' THR . 12.2 mt -122.59 -77.44 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 64.02 110.906 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.27 -25.0 5.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 65.34 110.905 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.2 -83.21 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.68 -0.771 . . . . 74.54 112.574 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.56 -5.5 42.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 62.33 110.892 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -87.87 -44.83 5.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 62.31 112.432 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 C-N-CA 120.769 -0.729 . . . . 73.03 112.553 -179.914 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 14.4 mttt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.811 0.339 . . . . 74.3 110.885 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . 0.714 ' O ' HG22 ' B' ' 6' ' ' THR . 0.1 OUTLIER -121.34 -53.09 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 75.24 110.887 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.582 ' HB2' HD12 ' B' ' 7' ' ' ILE . 2.4 pt-20 -54.43 -46.28 73.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.089 -0.505 . . . . 74.41 110.884 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 pp -72.41 -2.69 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 73.21 111.192 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.881 HG23 HD13 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -104.21 -20.06 13.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 65.03 111.143 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.714 HG22 ' O ' ' B' ' 2' ' ' TYR . 0.3 OUTLIER -118.61 -5.31 10.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 74.41 111.144 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.582 HD12 ' HB2' ' B' ' 3' ' ' GLU . 62.4 mt -114.86 -11.97 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 73.41 111.118 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -123.91 -1.37 8.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 74.41 110.874 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -85.79 -61.51 1.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 75.41 110.88 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.82 -2.45 8.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.24 110.933 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -80.75 -1.02 41.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 72.21 110.847 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -67.27 -11.32 57.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.118 -0.492 . . . . 72.44 110.917 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.74 -75.31 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 72.55 110.833 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 mp -120.75 120.44 35.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 63.3 110.931 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 1.7 t -119.97 126.36 50.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 71.31 111.094 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -123.68 -98.8 0.43 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 70.54 110.872 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -125.46 -4.67 7.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.92 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 94.7 mt -49.95 -23.75 2.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 72.32 110.998 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.518 ' CE1' HD11 ' B' ' 7' ' ' ILE . 5.2 t80 -49.41 -63.55 1.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 74.13 110.901 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -104.11 -31.97 9.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 73.22 110.844 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -14.87 60.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 74.1 110.822 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -123.41 -60.37 1.48 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 72.24 110.904 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -89.69 13.66 13.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 73.21 110.924 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.42 -19.12 8.11 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.727 -0.749 . . . . 71.12 112.476 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -79.84 -13.21 59.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.971 0.415 . . . . 64.11 110.918 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.403 HG22 ' N ' ' B' ' 27' ' ' LEU . 1.0 OUTLIER -96.5 -54.23 3.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 75.22 111.092 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.403 ' N ' HG22 ' B' ' 26' ' ' THR . 0.4 OUTLIER -71.9 0.94 7.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 71.11 110.919 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 24.3 ttt-85 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 65.53 110.846 179.915 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.795 0.331 . . . . 74.4 111.081 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.71 -13.78 9.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.415 . . . . 75.45 110.899 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.3 -13.15 83.9 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.778 -0.725 . . . . 70.31 112.458 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.529 ' CD1' HG22 ' B' ' 5' ' ' THR . 8.6 m0 -118.85 -20.79 8.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.881 0.372 . . . . 73.12 110.919 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.18 -39.03 15.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 74.2 110.93 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -81.85 -17.17 48.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 72.13 110.864 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.755 ' HG3' HD12 ' A' ' 11' ' ' LEU . 8.7 mptt -81.65 108.61 15.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 63.32 110.884 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.54 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -93.11 -64.96 0.13 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.639 0.733 . . . . 75.22 110.923 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 53.2 Cg_endo -69.7 -13.3 34.63 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.748 2.299 . . . . 74.31 112.367 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.755 HD12 ' HG3' ' A' ' 8' ' ' LYS . 4.9 mt -83.74 -76.78 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 64.02 110.906 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.503 ' HB2' HG21 ' B' ' 5' ' ' THR . 5.0 t80 -118.6 -12.62 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 65.34 110.919 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.79 -108.91 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.729 . . . . 74.54 112.479 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -74.68 -17.3 60.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 62.33 110.882 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.33 47.94 1.93 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.794 -0.717 . . . . 62.31 112.521 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.739 -0.744 . . . . 73.03 112.572 -179.94 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 12.5 mttt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.757 0.313 . . . . 74.3 110.912 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . 0.521 ' O ' HG22 ' B' ' 6' ' ' THR . 0.1 OUTLIER -122.47 -50.78 1.98 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 75.24 110.924 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -54.67 -44.64 73.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 74.41 110.819 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.514 ' O ' HD12 ' B' ' 4' ' ' ILE . 1.4 pp -75.37 2.76 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 73.21 111.111 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.529 HG22 ' CD1' ' A' ' 5' ' ' TRP . 46.2 m -106.2 -24.97 12.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 65.03 111.166 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.521 HG22 ' O ' ' B' ' 2' ' ' TYR . 0.2 OUTLIER -118.23 -7.09 10.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 74.41 111.122 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.784 HD11 ' CG ' ' B' ' 19' ' ' PHE . 9.7 mt -122.42 4.3 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 73.41 111.142 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -117.92 -19.2 9.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.41 110.886 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . 0.474 HD22 HD23 ' B' ' 10' ' ' LEU . 2.8 p-10 -69.91 -63.84 1.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 75.41 110.858 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.474 HD23 HD22 ' B' ' 9' ' ' ASN . 0.7 OUTLIER -126.76 -1.91 6.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 74.24 110.928 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . 0.751 ' CE1' HD21 ' B' ' 18' ' ' LEU . 1.4 m-30 -115.0 24.5 11.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 72.21 110.901 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.15 -36.3 13.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 72.44 110.865 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.456 ' O ' HD22 ' B' ' 14' ' ' LEU . 8.2 mtpt -120.6 12.95 11.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 72.55 110.906 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.64 HD12 ' NE2' ' B' ' 16' ' ' HIS . 4.0 mm? -122.33 119.71 31.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 63.3 110.835 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -122.32 104.15 9.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 71.31 111.133 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.64 ' NE2' HD12 ' B' ' 14' ' ' LEU . 41.7 m170 -111.86 -125.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 70.54 110.865 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 10.6 ptt180 -124.11 -24.84 4.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 74.14 110.856 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.751 HD21 ' CE1' ' B' ' 11' ' ' PHE . 2.6 pp -48.63 -25.04 1.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.852 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.784 ' CG ' HD11 ' B' ' 7' ' ' ILE . 4.2 t80 -46.2 -64.62 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 74.13 110.871 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.42 -23.53 13.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 73.22 110.928 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -15.99 61.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 74.1 110.87 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.59 -56.67 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 72.24 110.868 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -92.94 13.26 21.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 73.21 110.856 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -108.8 -17.29 10.49 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 71.12 112.494 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -79.38 -13.84 59.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.94 0.4 . . . . 64.11 110.906 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.413 HG22 ' N ' ' B' ' 27' ' ' LEU . 1.0 OUTLIER -87.22 -53.63 4.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 75.22 111.163 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.413 ' N ' HG22 ' B' ' 26' ' ' THR . 0.4 OUTLIER -71.46 0.31 8.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 71.11 110.879 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 65.53 110.85 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.761 0.315 . . . . 74.4 111.065 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.03 -6.72 9.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 75.45 110.89 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.77 -6.31 63.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.785 -0.721 . . . . 70.31 112.45 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.586 ' NE1' HG23 ' B' ' 5' ' ' THR . 16.8 m0 -118.74 -26.37 6.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 73.12 110.936 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -104.41 -57.37 2.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 74.2 110.858 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.79 -48.31 63.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 72.13 110.833 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.16 -77.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 63.32 110.895 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.5 ' SG ' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -121.04 118.77 30.12 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.634 0.73 . . . . 75.22 110.92 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 39.25 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.668 2.246 . . . . 74.31 112.308 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.847 HD13 HD13 ' B' ' 4' ' ' ILE . 0.5 OUTLIER -98.89 -53.65 3.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.253 -0.43 . . . . 64.02 110.959 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -49.7 -33.63 16.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 65.34 110.872 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.74 -85.72 1.86 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.667 -0.778 . . . . 74.54 112.531 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -52.59 -45.52 66.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 62.33 110.922 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.46 -36.2 37.89 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.694 -0.765 . . . . 62.31 112.53 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 C-N-CA 120.733 -0.746 . . . . 73.03 112.49 -179.931 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 3.6 mptt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.769 0.319 . . . . 74.3 110.937 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . 0.773 ' O ' HG22 ' B' ' 5' ' ' THR . 0.9 OUTLIER -116.91 -44.61 2.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 75.24 110.952 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.545 ' HA ' HG23 ' B' ' 6' ' ' THR . 2.8 pt-20 -50.48 -24.13 2.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 74.41 110.886 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.847 HD13 HD13 ' A' ' 11' ' ' LEU . 2.4 pp -73.15 -8.79 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.105 -0.498 . . . . 73.21 111.103 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.773 HG22 ' O ' ' B' ' 2' ' ' TYR . 9.3 t -122.27 -12.89 8.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 65.03 111.054 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.647 ' O ' HD13 ' B' ' 10' ' ' LEU . 0.5 OUTLIER -113.42 -8.11 13.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.311 -0.404 . . . . 74.41 111.141 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.585 ' HA ' HD22 ' B' ' 10' ' ' LEU . 19.8 mm -116.83 -28.71 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 73.41 111.187 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.28 -5.5 15.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 74.41 110.83 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -121.93 20.5 10.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 75.41 110.835 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.647 HD13 ' O ' ' B' ' 6' ' ' THR . 1.3 pt? -120.44 -21.8 6.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 74.24 110.92 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -46.76 -29.49 1.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 72.21 110.869 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 5.1 mmt85 -72.85 -48.18 39.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 72.44 110.835 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.524 ' O ' ' C ' ' B' ' 14' ' ' LEU . 29.1 ttmt -123.52 57.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 72.55 110.918 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.524 ' C ' ' O ' ' B' ' 13' ' ' LYS . 0.4 OUTLIER -27.77 106.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 63.3 110.845 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . 0.619 HG22 HD12 ' B' ' 18' ' ' LEU . 1.0 OUTLIER -81.8 121.4 26.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 71.31 111.146 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -55.68 -76.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 70.54 110.864 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -119.96 -8.88 9.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 74.14 110.885 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.619 HD12 HG22 ' B' ' 15' ' ' THR . 76.4 mt -52.75 -22.74 5.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 72.32 110.946 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -49.36 -59.6 3.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 74.13 110.904 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.86 -28.22 10.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.052 -0.522 . . . . 73.22 110.837 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.42 -17.37 62.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 74.1 110.894 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -122.66 -54.89 1.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 72.24 110.841 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -92.84 13.88 19.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 73.21 110.886 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.91 -22.88 5.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 71.12 112.532 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -78.27 -12.86 60.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.915 0.388 . . . . 64.11 110.945 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.401 HG22 ' N ' ' B' ' 27' ' ' LEU . 1.0 OUTLIER -96.55 -54.42 3.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 75.22 111.114 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.401 ' N ' HG22 ' B' ' 26' ' ' THR . 0.4 OUTLIER -72.32 1.41 7.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 71.11 110.902 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 65.53 110.8 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.767 0.317 . . . . 74.4 111.138 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -120.48 -7.91 9.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 75.45 110.87 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.79 -4.68 65.16 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 70.31 112.5 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -116.66 -4.3 11.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.784 0.326 . . . . 73.12 110.885 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.92 -34.89 4.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 74.2 110.886 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -51.71 -27.77 12.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 72.13 110.869 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.502 ' CB ' HD12 ' A' ' 11' ' ' LEU . 5.1 mptp? -109.6 113.72 26.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 63.32 110.891 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.615 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 1.8 m -71.35 -53.88 7.46 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.565 0.698 . . . . 75.22 110.859 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.8 Cg_endo -69.72 21.4 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.698 2.265 . . . . 74.31 112.337 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.846 HD13 HG23 ' B' ' 5' ' ' THR . 8.6 mt -122.05 -77.81 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 64.02 110.951 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.23 -20.51 7.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 65.34 110.866 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.72 -76.79 0.21 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.702 -0.761 . . . . 74.54 112.476 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -90.72 -16.42 28.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.348 . . . . 62.33 110.885 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.53 -29.89 63.06 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 62.31 112.495 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.743 . . . . 73.03 112.506 -179.918 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.782 0.325 . . . . 74.3 110.874 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . 0.684 ' O ' HG22 ' B' ' 6' ' ' THR . 0.1 OUTLIER -121.07 -54.97 1.99 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 75.24 110.972 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.62 ' HB2' HD12 ' B' ' 7' ' ' ILE . 0.9 OUTLIER -53.23 -47.29 69.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.121 -0.49 . . . . 74.41 110.89 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.46 ' O ' HD13 ' B' ' 4' ' ' ILE . 0.0 OUTLIER -68.64 -10.87 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 73.21 111.117 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.846 HG23 HD13 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -95.19 -20.43 19.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 65.03 111.134 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.684 HG22 ' O ' ' B' ' 2' ' ' TYR . 0.1 OUTLIER -116.7 -6.6 11.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.449 . . . . 74.41 111.13 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.62 HD12 ' HB2' ' B' ' 3' ' ' GLU . 84.9 mt -110.52 -13.64 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 73.41 111.118 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.48 -1.38 9.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.87 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -86.23 -59.19 2.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 75.41 110.84 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.11 -6.0 8.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.44 . . . . 74.24 110.951 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . 0.754 ' CD1' HG22 ' B' ' 15' ' ' THR . 0.9 OUTLIER -82.95 -0.3 47.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 72.21 110.879 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -61.65 -17.65 56.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 72.44 110.888 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.48 -74.58 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 72.55 110.94 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 19.9 mt -120.2 115.94 24.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 63.3 110.939 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . 0.754 HG22 ' CD1' ' B' ' 11' ' ' PHE . 2.9 p -87.66 101.98 14.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 71.31 111.113 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -97.68 -122.5 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 70.54 110.921 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.86 -2.18 8.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 74.14 110.879 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 19.8 mt -49.6 -24.52 2.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 72.32 110.942 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -47.96 -61.68 1.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 74.13 110.889 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.418 ' HA ' ' HA3' ' B' ' 24' ' ' GLY . 0.1 OUTLIER -109.23 -30.9 7.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 73.22 110.888 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.5 -16.99 64.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 74.1 110.825 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -123.91 -57.75 1.6 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.249 -0.432 . . . . 72.24 110.919 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -90.23 12.85 16.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 73.21 110.961 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.418 ' HA3' ' HA ' ' B' ' 20' ' ' ARG . . . -106.6 -5.28 36.61 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.76 -0.733 . . . . 71.12 112.528 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.8 -3.45 48.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.982 0.42 . . . . 64.11 110.952 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.76 -52.38 4.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 75.22 111.146 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.687 HD22 ' O ' ' B' ' 27' ' ' LEU . 0.0 OUTLIER -69.27 -1.65 8.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 71.11 110.891 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.475 ' N ' HD13 ' B' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 65.53 110.853 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.819 0.342 . . . . 74.4 111.086 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -111.42 -21.66 11.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 75.45 110.874 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.17 -10.08 84.2 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 70.31 112.433 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -118.0 -14.61 9.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.848 0.356 . . . . 73.12 110.963 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -120.46 -54.26 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 74.2 110.915 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -59.62 -54.84 41.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 72.13 110.834 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -76.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 63.32 110.877 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.595 ' HB3' HD12 ' A' ' 11' ' ' LEU . 18.1 t -121.15 114.92 31.83 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 121.594 0.712 . . . . 75.22 110.876 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 38.88 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.624 2.216 . . . . 74.31 112.348 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.78 ' O ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -103.39 -6.51 21.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 64.02 110.948 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.653 ' N ' HD13 ' A' ' 11' ' ' LEU . 2.0 t80 -120.58 -17.63 8.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 65.34 110.979 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.53 -65.38 1.62 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 74.54 112.535 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.5 pttp -69.22 -30.09 68.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.709 0.29 . . . . 62.33 110.909 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -76.64 -80.11 0.63 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.707 -0.759 . . . . 62.31 112.506 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.692 -0.766 . . . . 73.03 112.517 -179.923 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.814 0.34 . . . . 74.3 110.931 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.9 -54.07 2.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 75.24 110.899 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -52.66 -46.99 67.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 74.41 110.837 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.48 ' O ' HG22 ' B' ' 4' ' ' ILE . 3.1 mp -69.75 -4.74 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 73.21 111.166 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 92.4 m -100.23 -21.49 15.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 65.03 111.175 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.2 t -121.46 -0.4 9.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 74.41 111.114 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.411 ' HA ' ' HB2' ' B' ' 11' ' ' PHE . 1.3 tp -118.59 -14.18 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 73.41 111.084 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.61 6.26 7.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.85 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -99.74 -55.23 2.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 75.41 110.917 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.538 ' H ' HD23 ' B' ' 10' ' ' LEU . 2.2 pt? -120.47 -6.27 9.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 74.24 110.937 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' PHE . . . . . 0.411 ' HB2' ' HA ' ' B' ' 7' ' ' ILE . 0.1 OUTLIER -78.6 1.05 23.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 72.21 110.94 179.886 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 17.0 mtt-85 -48.12 -71.14 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 72.44 110.868 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -121.64 -3.18 9.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 72.55 110.926 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mt -120.33 115.02 22.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 63.3 110.889 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.34 104.12 15.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 71.31 111.154 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.733 ' CB ' HD22 ' B' ' 18' ' ' LEU . 21.9 m-70 -105.24 123.77 48.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 70.54 110.853 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -12.2 44.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 74.14 110.861 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.733 HD22 ' CB ' ' B' ' 16' ' ' HIS . 0.9 OUTLIER -48.87 -23.81 1.23 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.869 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.619 ' N ' HD23 ' B' ' 18' ' ' LEU . 4.0 t80 -50.63 -61.59 2.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.943 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -104.3 -13.06 16.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 73.22 110.841 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.96 -22.65 27.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 74.1 110.861 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -123.12 -43.3 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 72.24 110.913 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -102.89 13.13 35.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 73.21 110.845 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.23 -16.78 62.02 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.748 -0.739 . . . . 71.12 112.467 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -59.96 -32.7 71.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.0 0.429 . . . . 64.11 110.971 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -91.65 -53.2 4.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 75.22 111.101 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.31 -1.8 7.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 71.11 110.9 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 65.53 110.865 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.481 HG11 HH21 ' A' ' 3' ' ' ARG . 35.9 m . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.825 0.345 . . . . 65.55 111.125 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.51 65.32 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 74.4 111.072 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.481 HH21 HG11 ' A' ' 1' ' ' VAL . 0.0 OUTLIER -120.98 -4.09 9.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 75.45 110.904 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.25 -1.36 55.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 70.31 112.511 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.417 ' CD1' ' HB ' ' B' ' 5' ' ' THR . 19.9 m0 -116.43 -10.36 11.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.826 0.346 . . . . 73.12 110.935 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.59 -44.83 2.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 74.2 110.926 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -73.32 -49.92 24.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 72.13 110.879 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -77.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 63.32 110.89 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.441 ' C ' ' H ' ' A' ' 11' ' ' LEU . 67.4 m -120.66 122.45 28.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.585 0.707 . . . . 75.22 110.857 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 36.83 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.731 2.288 . . . . 74.31 112.348 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.517 HD13 ' HD2' ' B' ' 1' ' ' LYS . 25.3 mt -90.52 -52.02 5.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 64.02 110.893 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -82.74 -14.21 54.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 65.34 110.887 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -104.13 -87.5 2.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.773 -0.727 . . . . 74.54 112.459 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.35 -50.02 52.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.368 . . . . 62.33 110.902 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.48 -35.35 68.32 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 62.31 112.453 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 73.03 112.496 -179.921 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . 0.517 ' HD2' HD13 ' A' ' 11' ' ' LEU . 6.9 mtmm . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.826 0.346 . . . . 74.3 110.869 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.24 -55.2 2.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 75.24 110.906 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -53.85 -45.14 70.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 74.41 110.895 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.486 HD12 ' O ' ' B' ' 4' ' ' ILE . 1.7 pp -73.22 0.38 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 73.21 111.142 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.417 ' HB ' ' CD1' ' A' ' 5' ' ' TRP . 0.3 OUTLIER -103.25 -25.94 13.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 65.03 111.134 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.0 t -117.46 -3.78 11.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 74.41 111.131 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.69 HD11 ' N ' ' B' ' 19' ' ' PHE . 23.0 mm -121.66 -1.82 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 73.41 111.13 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -116.35 -15.5 10.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 74.41 110.899 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -72.93 -61.79 1.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 75.41 110.899 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -124.37 -5.05 7.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 74.24 110.943 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . 0.446 ' HA ' ' HB2' ' B' ' 14' ' ' LEU . 0.6 OUTLIER -110.37 21.79 16.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 72.21 110.816 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -50.16 -33.95 20.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 72.44 110.843 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.457 ' O ' HD22 ' B' ' 14' ' ' LEU . 1.3 ttmt -119.58 24.57 10.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 72.55 110.902 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.457 HD22 ' O ' ' B' ' 13' ' ' LYS . 4.2 mm? -122.76 123.16 40.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 63.3 110.923 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . 0.439 ' C ' ' O ' ' B' ' 14' ' ' LEU . 0.1 OUTLIER -34.05 122.65 0.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 71.31 111.156 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.423 ' HA ' HD12 ' B' ' 7' ' ' ILE . 30.3 p-80 -48.13 97.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 70.54 110.841 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.9 -50.42 1.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 74.14 110.859 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 16.5 mt -57.36 -14.77 5.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 72.32 110.883 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.69 ' N ' HD11 ' B' ' 7' ' ' ILE . 5.8 t80 -55.18 -53.04 60.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 74.13 110.881 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.07 -15.98 11.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 73.22 110.851 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 10.2 mmm-85 -86.68 -17.61 33.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 74.1 110.874 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -121.5 -47.44 2.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 72.24 110.866 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -102.49 13.62 34.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 73.21 110.877 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.2 -20.06 14.87 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.791 -0.719 . . . . 71.12 112.525 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.85 -15.81 61.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.935 0.397 . . . . 64.11 110.948 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.4 HG22 ' N ' ' B' ' 27' ' ' LEU . 1.0 OUTLIER -93.83 -54.54 3.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 75.22 111.128 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.4 ' N ' HG22 ' B' ' 26' ' ' THR . 0.4 OUTLIER -71.58 0.51 8.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 71.11 110.96 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 65.53 110.851 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 19.2 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.823 0.344 . . . . 65.55 111.081 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.01 74.24 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 74.4 111.16 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -120.48 -17.4 8.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 75.45 110.908 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.6 -17.64 73.05 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.744 -0.741 . . . . 70.31 112.481 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.507 ' HA ' HG21 ' B' ' 5' ' ' THR . 3.9 m0 -124.48 -2.86 7.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.882 0.373 . . . . 73.12 110.95 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.22 -41.92 2.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 74.2 110.922 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.34 -50.41 14.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 72.13 110.854 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -79.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 63.32 110.931 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.531 ' HB2' HG23 ' B' ' 5' ' ' THR . 13.2 m -121.15 121.67 28.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 75.22 110.922 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.66 38.36 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.708 2.272 . . . . 74.31 112.375 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.433 ' H ' ' C ' ' A' ' 9' ' ' CYS . 4.7 mt -78.87 -60.24 2.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 64.02 110.909 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.439 ' HB3' ' HB3' ' A' ' 5' ' ' TRP . 68.9 t80 -94.05 -33.29 13.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 65.34 110.92 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.31 -76.95 0.39 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 74.54 112.465 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -78.13 -24.1 47.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.341 . . . . 62.33 110.919 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.24 -50.0 4.48 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.747 -0.74 . . . . 62.31 112.517 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.8 -0.714 . . . . 73.03 112.445 -179.903 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.761 0.315 . . . . 74.3 110.896 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . 0.757 ' O ' HG22 ' B' ' 6' ' ' THR . 8.1 p90 -50.16 -32.26 15.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 75.24 110.929 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.86 -54.85 7.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.031 -0.531 . . . . 74.41 110.878 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 3.1 mp -61.75 -15.53 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 73.21 111.108 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.531 HG23 ' HB2' ' A' ' 9' ' ' CYS . 0.2 OUTLIER -96.01 -22.38 17.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 65.03 111.126 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.757 HG22 ' O ' ' B' ' 2' ' ' TYR . 0.2 OUTLIER -112.67 1.49 15.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 74.41 111.167 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.609 ' HA ' HD22 ' B' ' 10' ' ' LEU . 29.6 mm -112.96 -26.14 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 73.41 111.063 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.85 -7.99 16.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.847 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -120.06 17.09 12.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 75.41 110.959 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.645 HD13 ' O ' ' B' ' 6' ' ' THR . 0.8 OUTLIER -116.51 -18.78 10.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 74.24 110.945 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . 0.551 ' N ' HD23 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -77.08 -9.18 58.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 72.21 110.92 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 8.8 mtt-85 -107.06 -36.15 6.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 72.44 110.899 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -121.35 33.03 5.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 72.55 110.928 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.79 -29.61 3.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 63.3 110.858 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . 0.52 HG23 ' CD2' ' B' ' 16' ' ' HIS . 8.8 t -50.48 -33.96 23.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 71.31 111.174 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.52 ' CD2' HG23 ' B' ' 15' ' ' THR . 40.5 m170 -71.12 121.44 18.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 70.54 110.868 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.63 32.63 2.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 74.14 110.85 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 5.6 mt -119.27 20.51 12.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.93 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.405 ' CE1' ' HB ' ' B' ' 6' ' ' THR . 0.1 OUTLIER -120.76 -41.89 2.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 74.13 110.928 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 3.3 mmt85 -106.22 -32.0 8.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 73.22 110.896 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 56.8 mtt85 -90.91 -10.57 42.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 74.1 110.906 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -120.88 -42.9 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 72.24 110.954 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.577 ' O ' HD23 ' B' ' 27' ' ' LEU . 16.3 m-85 -104.54 11.0 34.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 73.21 110.892 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.99 -32.84 2.52 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.705 -0.759 . . . . 71.12 112.551 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.01 -11.58 60.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.884 0.374 . . . . 64.11 110.849 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -91.04 -53.6 4.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 75.22 111.167 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.729 HD22 ' CD2' ' B' ' 2' ' ' TYR . 2.8 pp -69.03 -2.52 10.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 71.11 110.931 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 65.53 110.856 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.425 ' O ' HG12 ' A' ' 1' ' ' VAL . 15.2 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.803 0.335 . . . . 65.55 111.132 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.26 73.03 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 74.4 111.158 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -118.39 -15.0 9.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 75.45 110.881 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.85 -13.27 83.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 70.31 112.531 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.684 ' CD1' HG23 ' B' ' 6' ' ' THR . 38.3 m0 -117.29 -13.37 10.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.888 0.375 . . . . 73.12 110.926 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.01 -45.18 3.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 74.2 110.936 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.89 -50.94 8.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 72.13 110.914 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -59.08 -76.24 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 63.32 110.864 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.437 ' C ' ' H ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -120.3 118.84 31.0 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.543 0.687 . . . . 75.22 110.873 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 37.1 0.24 Allowed 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.692 2.261 . . . . 74.31 112.348 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.437 ' H ' ' C ' ' A' ' 9' ' ' CYS . 3.7 mt -89.14 -34.91 16.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.28 -0.418 . . . . 64.02 110.923 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -108.08 -26.56 10.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 65.34 110.871 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.04 -94.1 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 74.54 112.468 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.21 -24.35 63.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.811 0.339 . . . . 62.33 110.967 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -106.44 33.51 6.4 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.701 -0.761 . . . . 62.31 112.467 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 73.03 112.484 -179.943 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 21.8 mttp . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.773 0.321 . . . . 74.3 110.94 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -119.98 -52.58 2.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 75.24 110.858 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.466 ' HB2' HD12 ' B' ' 7' ' ' ILE . 9.4 pt-20 -54.67 -45.85 73.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 74.41 110.831 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 1.5 pp -68.8 -6.66 6.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 73.21 111.111 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 94.0 m -101.65 -24.61 14.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 65.03 111.153 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.684 HG23 ' CD1' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -109.08 -4.75 16.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 74.41 111.138 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.466 HD12 ' HB2' ' B' ' 3' ' ' GLU . 85.8 mt -106.96 -36.4 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 73.41 111.166 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -63.89 -33.39 75.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 74.41 110.837 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -106.31 20.34 19.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 75.41 110.875 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.631 HD22 ' HB2' ' B' ' 19' ' ' PHE . 9.7 tp -119.12 -28.41 5.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 74.24 110.992 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -53.88 -24.23 15.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 72.21 110.856 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -69.5 -50.86 41.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 72.44 110.829 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -123.59 62.11 1.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 72.55 110.93 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' B' ' 15' ' ' THR . 3.2 pp -47.48 -24.8 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 63.3 110.943 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . 0.42 HG23 ' N ' ' B' ' 16' ' ' HIS . 2.6 t -36.66 -46.75 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 71.31 111.177 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.42 ' N ' HG23 ' B' ' 15' ' ' THR . 13.3 p80 -89.22 124.86 34.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 70.54 110.833 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 67.6 mmt-85 -91.36 25.85 2.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.881 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.556 HD12 ' N ' ' B' ' 19' ' ' PHE . 4.6 pp -47.83 -26.38 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 72.32 110.9 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.631 ' HB2' HD22 ' B' ' 10' ' ' LEU . 3.4 t80 -53.44 -52.22 60.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 74.13 110.876 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.438 ' HA ' ' HA3' ' B' ' 24' ' ' GLY . 10.8 ptm180 -107.8 -40.46 5.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 73.22 110.931 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 10.8 mmt-85 -61.54 -17.8 56.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 74.1 110.87 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.4 ' HB2' ' HA ' ' B' ' 18' ' ' LEU . 18.7 t30 -123.94 -57.04 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 72.24 110.863 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -90.11 15.68 9.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 73.21 110.859 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.438 ' HA3' ' HA ' ' B' ' 20' ' ' ARG . . . -112.31 -22.22 5.92 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.772 -0.728 . . . . 71.12 112.457 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -79.05 -12.35 60.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.885 0.374 . . . . 64.11 110.855 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -101.39 -54.08 2.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 75.22 111.121 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.404 HD12 ' HH2' ' A' ' 5' ' ' TRP . 0.7 OUTLIER -72.16 1.35 7.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 71.11 110.93 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 65.53 110.853 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.5 p . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.784 0.326 . . . . 65.55 111.123 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.43 69.57 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 74.4 111.121 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.44 -16.14 11.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 75.45 110.853 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.33 -5.68 84.92 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 70.31 112.508 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -119.05 -16.79 9.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 73.12 110.927 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -121.12 -54.35 2.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 74.2 110.905 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -54.95 40.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 72.13 110.832 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -59.48 -77.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 63.32 110.943 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.451 ' C ' ' H ' ' A' ' 11' ' ' LEU . 6.3 t -120.81 120.83 29.27 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.587 0.708 . . . . 75.22 110.894 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 37.01 0.24 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.698 2.266 . . . . 74.31 112.309 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.578 ' HB2' HG23 ' B' ' 5' ' ' THR . 13.2 mt -85.29 -38.76 18.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.442 . . . . 64.02 110.945 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -103.37 -25.58 13.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 65.34 110.893 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.28 -106.05 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.767 -0.73 . . . . 74.54 112.428 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 pttp -56.08 -25.23 44.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 62.33 110.891 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -99.86 38.9 2.92 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.73 -0.748 . . . . 62.31 112.512 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 73.03 112.498 -179.914 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.77 0.319 . . . . 74.3 110.879 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . 0.66 ' O ' HG22 ' B' ' 6' ' ' THR . 9.1 p90 -50.98 -40.6 58.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 75.24 110.951 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.723 ' HB2' HD12 ' B' ' 7' ' ' ILE . 15.8 pt-20 -50.94 -47.42 61.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 74.41 110.887 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.505 ' O ' HG22 ' B' ' 4' ' ' ILE . 3.0 mp -70.34 -5.02 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 73.21 111.11 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.578 HG23 ' HB2' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -103.8 -16.75 15.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 65.03 111.167 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.66 HG22 ' O ' ' B' ' 2' ' ' TYR . 0.1 OUTLIER -122.77 -2.6 8.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 74.41 111.182 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.723 HD12 ' HB2' ' B' ' 3' ' ' GLU . 60.5 mt -118.61 -14.2 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 73.41 111.133 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -124.46 1.51 8.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 74.41 110.858 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.523 ' HB3' HD23 ' B' ' 10' ' ' LEU . 8.0 m-20 -92.02 -60.17 1.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 75.41 110.951 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.863 HD12 HD13 ' B' ' 18' ' ' LEU . 0.1 OUTLIER -121.24 -1.48 9.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 74.24 110.915 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . 0.667 ' CD1' HG22 ' B' ' 15' ' ' THR . 0.5 OUTLIER -84.26 -11.83 55.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 72.21 110.87 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -75.03 -6.41 49.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 72.44 110.837 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.413 ' C ' HD12 ' B' ' 14' ' ' LEU . 0.3 OUTLIER -120.29 -72.17 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 72.55 110.944 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.413 HD12 ' C ' ' B' ' 13' ' ' LYS . 10.9 mp -120.81 117.85 28.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 63.3 110.868 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . 0.667 HG22 ' CD1' ' B' ' 11' ' ' PHE . 1.7 p -95.71 101.14 12.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 71.31 111.13 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -117.36 -120.22 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 70.54 110.87 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.65 55.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 74.14 110.878 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.863 HD13 HD12 ' B' ' 10' ' ' LEU . 1.6 mt -116.03 21.9 13.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 72.32 110.884 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -113.65 -47.97 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 74.13 110.9 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 21.3 mtt-85 -114.91 -32.01 5.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.493 . . . . 73.22 110.923 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -80.11 -9.62 59.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 74.1 110.876 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -121.89 -53.47 1.96 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 72.24 110.891 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -101.88 15.25 29.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 73.21 110.901 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.59 -28.17 3.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 71.12 112.408 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.45 -12.06 59.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.947 0.403 . . . . 64.11 110.866 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.406 HG22 HD22 ' B' ' 27' ' ' LEU . 1.1 m -100.54 -53.84 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 75.22 111.204 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.406 HD22 HG22 ' B' ' 26' ' ' THR . 2.7 mm? -69.45 -1.5 8.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 71.11 110.942 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 65.53 110.861 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 32.9 m . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.908 0.385 . . . . 65.55 111.101 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.26 73.08 0.97 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.115 -0.493 . . . . 74.4 111.139 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.64 -17.01 10.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 75.45 110.868 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.97 -10.87 85.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 70.31 112.426 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.43 ' HE1' HG22 ' B' ' 6' ' ' THR . 15.0 m0 -118.22 -7.65 10.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.773 0.321 . . . . 73.12 110.9 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.54 -46.07 2.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 74.2 110.906 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.18 -55.18 3.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 72.13 110.927 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -49.6 -75.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 63.32 110.882 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.439 ' HB3' HD12 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -120.43 115.64 32.51 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.596 0.712 . . . . 75.22 110.887 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.66 36.59 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.67 2.247 . . . . 74.31 112.377 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.578 HD13 ' HB ' ' B' ' 4' ' ' ILE . 4.3 mt -91.56 -34.43 14.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 64.02 110.982 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -99.95 -32.7 10.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 65.34 110.876 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.71 -99.11 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.72 -0.752 . . . . 74.54 112.515 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -22.68 66.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.881 0.372 . . . . 62.33 110.9 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.27 -32.73 68.32 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.812 -0.709 . . . . 62.31 112.464 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 73.03 112.469 -179.896 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 3.2 mttp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.788 0.328 . . . . 74.3 110.863 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . 0.533 ' O ' HG23 ' B' ' 6' ' ' THR . 2.6 p90 -113.81 -43.36 3.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.414 . . . . 75.24 110.948 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.531 ' O ' HG23 ' B' ' 7' ' ' ILE . 0.7 OUTLIER -50.02 -51.05 45.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 74.41 110.864 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.578 ' HB ' HD13 ' A' ' 11' ' ' LEU . 6.2 mm -64.21 -12.02 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 73.21 111.185 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.58 -23.95 18.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 65.03 111.067 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.533 HG23 ' O ' ' B' ' 2' ' ' TYR . 0.1 OUTLIER -97.09 -37.55 10.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 74.41 111.202 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.531 HG23 ' O ' ' B' ' 3' ' ' GLU . 11.9 pt -70.92 -36.93 66.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 73.41 111.086 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -76.23 -23.94 54.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.863 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -99.91 -5.73 27.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 75.41 110.889 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.652 HD13 HD11 ' B' ' 18' ' ' LEU . 13.4 tp -82.18 -36.42 27.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 74.24 110.852 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -6.6 41.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 72.21 110.81 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -76.02 -74.78 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 72.44 110.896 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -120.99 44.67 2.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 72.55 110.906 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.534 ' HA ' HD21 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -44.59 102.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 63.3 110.928 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 1.1 p -100.2 -92.05 0.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 71.31 111.185 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -123.67 -83.37 0.65 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 70.54 110.844 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -122.53 68.63 0.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 74.14 110.878 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.652 HD11 HD13 ' B' ' 10' ' ' LEU . 0.6 OUTLIER -94.9 22.05 6.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 72.32 110.878 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.445 ' CE1' HG21 ' B' ' 6' ' ' THR . 4.5 t80 -121.93 -51.81 2.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 74.13 110.894 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -98.87 -43.36 6.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 73.22 110.819 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.6 -1.29 33.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 74.1 110.913 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -122.98 -55.2 1.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 72.24 110.893 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -103.04 14.72 31.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 73.21 110.915 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.83 -22.67 5.27 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.633 -0.794 . . . . 71.12 112.44 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -79.14 -12.29 59.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.972 0.415 . . . . 64.11 110.94 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.65 -53.99 3.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 75.22 111.181 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.04 1.04 7.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.162 -0.472 . . . . 71.11 110.953 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 65.53 110.877 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 34.6 m . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.831 0.348 . . . . 65.55 111.095 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.2 73.16 0.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 74.4 111.091 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -114.29 -19.28 11.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 75.45 110.894 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.3 -11.07 82.23 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 70.31 112.463 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 7.7 m0 -119.81 -8.78 9.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.868 0.366 . . . . 73.12 110.961 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.23 -46.71 2.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 74.2 110.9 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.11 -54.04 4.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 72.13 110.89 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 63.32 110.928 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.453 ' C ' ' H ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -120.25 117.6 31.77 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.614 0.721 . . . . 75.22 110.909 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 36.41 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.622 2.215 . . . . 74.31 112.369 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.627 HD13 ' HG2' ' B' ' 1' ' ' LYS . 79.6 mt -94.28 -34.02 13.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 64.02 110.854 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -106.83 -17.95 14.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 65.34 110.898 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.93 -101.94 0.33 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.772 -0.727 . . . . 74.54 112.47 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -28.36 65.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 62.33 110.827 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.21 -44.29 66.93 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 62.31 112.405 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 73.03 112.431 -179.824 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . 0.627 ' HG2' HD13 ' A' ' 11' ' ' LEU . 2.9 mptm? . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.777 0.323 . . . . 74.3 110.867 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . 0.71 ' O ' HG22 ' B' ' 6' ' ' THR . 0.1 OUTLIER -120.41 -49.27 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.904 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.668 ' HB2' HD12 ' B' ' 7' ' ' ILE . 12.4 pt-20 -52.34 -48.2 65.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 74.41 110.895 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -73.1 0.64 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 73.21 111.128 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.16 -19.75 13.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 65.03 111.141 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.71 HG22 ' O ' ' B' ' 2' ' ' TYR . 0.0 OUTLIER -119.45 -9.6 9.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.408 . . . . 74.41 111.094 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.668 HD12 ' HB2' ' B' ' 3' ' ' GLU . 70.2 mt -106.57 -13.83 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 73.41 111.072 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.09 -1.11 9.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 74.41 110.869 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -87.13 -59.34 2.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 75.41 110.891 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.498 ' H ' HD23 ' B' ' 10' ' ' LEU . 1.9 pt? -121.88 -6.12 9.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.959 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . 0.79 ' CD1' HG22 ' B' ' 15' ' ' THR . 0.1 OUTLIER -79.61 -3.71 48.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 72.21 110.922 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.28 -7.48 52.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 72.44 110.82 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 9.8 mttm -120.09 -74.43 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 72.55 110.93 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -107.53 108.67 20.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 63.3 110.902 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . 0.79 HG22 ' CD1' ' B' ' 11' ' ' PHE . 2.4 p -99.33 100.62 11.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 71.31 111.11 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -122.29 -100.81 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 70.54 110.867 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 16.3 ptt-85 -126.61 33.4 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 74.14 110.904 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.468 HD13 HD11 ' B' ' 10' ' ' LEU . 4.7 mt -93.56 26.22 3.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 72.32 110.946 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.567 ' CZ ' HD11 ' B' ' 7' ' ' ILE . 5.6 t80 -112.64 -50.25 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 74.13 110.812 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.03 -36.93 3.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.22 110.863 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.83 -7.45 52.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 74.1 110.882 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -123.59 -57.76 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 72.24 110.891 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -99.17 15.14 26.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 73.21 110.856 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.88 -15.42 14.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 71.12 112.487 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -78.13 -15.35 58.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.005 0.431 . . . . 64.11 110.941 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.424 HG22 ' N ' ' B' ' 27' ' ' LEU . 1.0 OUTLIER -80.3 -53.26 6.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 75.22 111.181 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.424 ' N ' HG22 ' B' ' 26' ' ' THR . 0.5 OUTLIER -71.28 0.02 8.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 71.11 110.96 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 65.53 110.894 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.79 0.329 . . . . 65.55 111.164 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.42 65.12 1.18 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.449 . . . . 74.4 111.166 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.63 -3.49 9.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 75.45 110.869 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.13 1.78 40.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 70.31 112.456 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.473 ' CD1' HG23 ' B' ' 6' ' ' THR . 6.4 m0 -120.26 -23.04 6.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.86 0.362 . . . . 73.12 110.942 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.89 -58.03 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 74.2 110.866 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -59.63 -57.61 12.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 72.13 110.864 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -54.86 -75.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 63.32 110.899 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.477 ' HB3' HG23 ' B' ' 5' ' ' THR . 0.1 OUTLIER -120.07 122.34 29.0 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.643 0.735 . . . . 75.22 110.855 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 37.3 0.24 Allowed 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.673 2.249 . . . . 74.31 112.343 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.45 ' H ' ' C ' ' A' ' 9' ' ' CYS . 52.3 mt -87.55 -35.25 18.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 64.02 110.908 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -111.62 -24.44 10.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 65.34 110.846 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.1 -109.8 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.753 -0.737 . . . . 74.54 112.529 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -59.51 -22.65 61.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 62.33 110.909 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -93.29 23.11 31.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 62.31 112.501 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.204 0 C-N-CA 120.714 -0.755 . . . . 73.03 112.453 -179.886 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 11.6 mmtm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.86 0.362 . . . . 74.3 110.883 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.68 -48.21 2.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 75.24 110.907 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -54.92 -47.43 74.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 74.41 110.795 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.89 -6.03 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 73.21 111.075 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.477 HG23 ' HB3' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -101.36 -33.48 10.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 65.03 111.123 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.473 HG23 ' CD1' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -92.41 -38.23 12.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 74.41 111.105 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 87.1 mt -67.44 -38.79 81.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 73.41 111.051 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.83 -3.62 42.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 74.41 110.871 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -117.8 -4.13 11.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 75.41 110.927 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.582 HD21 ' HA ' ' B' ' 16' ' ' HIS . 0.4 OUTLIER -120.22 -18.68 7.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 74.24 110.896 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.29 -25.18 5.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 72.21 110.886 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -56.84 -22.92 40.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 72.44 110.933 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -105.33 -74.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 72.55 110.904 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 mp -116.79 -122.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 63.3 110.9 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . 0.498 ' O ' HD11 ' B' ' 10' ' ' LEU . 0.7 OUTLIER -121.17 -90.9 0.57 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 71.31 111.093 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.582 ' HA ' HD21 ' B' ' 10' ' ' LEU . 19.3 p-80 -123.51 83.88 2.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 70.54 110.906 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -120.87 -52.75 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.14 110.911 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 34.8 mt -64.55 -7.52 10.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 72.32 110.904 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -65.69 -50.0 66.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.866 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -117.42 -35.39 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 73.22 110.857 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -18.79 65.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 74.1 110.888 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -123.22 -53.4 1.83 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 72.24 110.881 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.695 ' O ' HD23 ' B' ' 27' ' ' LEU . 22.7 m-85 -91.19 12.42 20.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 73.21 110.919 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.03 -23.8 5.41 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.81 -0.71 . . . . 71.12 112.524 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.71 -11.89 60.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.967 0.413 . . . . 64.11 110.927 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.05 -53.84 3.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 75.22 111.147 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.695 HD23 ' O ' ' B' ' 23' ' ' PHE . 1.3 pp -70.14 -1.39 9.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.284 -0.416 . . . . 71.11 110.931 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 65.53 110.859 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 18.0 m . . . . . 0 N--CA 1.46 0.031 0 CA-C-O 120.817 0.341 . . . . 65.55 111.088 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.2 73.04 0.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 74.4 111.132 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.75 -18.05 10.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.218 -0.446 . . . . 75.45 110.877 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.55 -9.88 85.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 70.31 112.41 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.1 m0 -118.5 -11.81 9.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.768 0.318 . . . . 73.12 110.926 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.43 -48.1 2.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 74.2 110.878 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -82.09 -50.42 9.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.408 . . . . 72.13 110.89 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -50.29 -70.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 63.32 110.947 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.431 ' C ' ' H ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -120.3 116.38 32.35 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.577 0.703 . . . . 75.22 110.914 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.76 37.52 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.661 2.24 . . . . 74.31 112.32 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.431 ' H ' ' C ' ' A' ' 9' ' ' CYS . 95.2 mt -112.06 -18.63 12.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 64.02 110.927 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.92 -20.19 12.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 65.34 110.857 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -120.12 -77.01 0.49 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 74.54 112.44 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.0 -57.59 7.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.807 0.337 . . . . 62.33 110.853 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -96.33 30.04 9.29 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 62.31 112.506 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 73.03 112.516 -179.903 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.831 0.348 . . . . 74.3 110.953 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . 0.426 ' O ' HG22 ' B' ' 6' ' ' THR . 0.1 OUTLIER -120.16 -49.35 2.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 75.24 110.958 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -53.54 -47.69 69.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 74.41 110.918 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.56 -4.25 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 73.21 111.11 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 88.5 m -99.45 -26.79 14.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 65.03 111.152 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.426 HG22 ' O ' ' B' ' 2' ' ' TYR . 1.8 t -109.43 -8.92 14.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 74.41 111.198 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.803 HD13 HD23 ' B' ' 10' ' ' LEU . 22.6 mm -94.74 -31.97 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 73.41 111.15 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.49 -24.3 66.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.856 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -115.59 14.43 16.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 75.41 110.88 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.803 HD23 HD13 ' B' ' 7' ' ' ILE . 9.0 tp -120.44 -26.34 5.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 74.24 110.865 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . 0.413 ' CD1' HG23 ' B' ' 7' ' ' ILE . 0.3 OUTLIER -64.73 -7.68 11.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 72.21 110.991 179.848 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -44.77 -83.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 72.44 110.848 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -124.86 7.37 8.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 72.55 110.897 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.482 ' HB2' HD12 ' B' ' 10' ' ' LEU . 3.2 mt -121.78 121.09 36.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 63.3 110.932 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.04 -94.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 71.31 111.129 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -125.1 80.81 1.91 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.203 -0.453 . . . . 70.54 110.829 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.68 -64.94 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 74.14 110.895 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.632 HD12 HD13 ' B' ' 10' ' ' LEU . 8.8 mt -68.86 3.23 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 72.32 110.873 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -81.61 -48.25 11.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 74.13 110.875 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -116.63 -34.27 4.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 73.22 110.84 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 35.6 mmm-85 -70.98 -8.65 54.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 74.1 110.847 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.538 ' ND2' HD23 ' B' ' 18' ' ' LEU . 2.2 m-80 -122.77 -61.77 1.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 72.24 110.924 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -95.41 16.13 17.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 73.21 110.859 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.34 -18.54 8.55 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.73 -0.748 . . . . 71.12 112.489 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -80.54 -11.55 59.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.95 0.405 . . . . 64.11 110.891 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.4 HG22 ' N ' ' B' ' 27' ' ' LEU . 1.0 OUTLIER -94.93 -54.26 3.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 75.22 111.122 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.428 ' C ' HD12 ' B' ' 27' ' ' LEU . 4.3 pp -70.47 -0.99 9.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 71.11 110.892 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 65.53 110.917 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 1' ' ' VAL . 8.6 p . . . . . 0 N--CA 1.458 -0.045 0 CA-C-O 120.888 0.375 . . . . 65.55 111.175 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.09 72.53 0.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 74.4 111.117 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -119.93 -13.57 9.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 75.45 110.875 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.64 -12.8 84.14 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.737 -0.744 . . . . 70.31 112.446 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.424 ' CZ2' ' HB2' ' B' ' 2' ' ' TYR . 21.3 m0 -116.84 -12.85 10.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.775 0.321 . . . . 73.12 110.924 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.67 -46.93 2.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 74.2 110.902 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.79 -49.51 14.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 72.13 110.831 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -74.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 63.32 110.909 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.642 ' SG ' HD23 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -119.21 121.05 30.55 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.557 0.694 . . . . 75.22 110.941 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.87 37.27 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.669 2.246 . . . . 74.31 112.322 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.642 HD23 ' SG ' ' A' ' 9' ' ' CYS . 1.4 pp -110.54 -30.01 7.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 64.02 110.926 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -104.87 -17.61 14.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 65.34 110.855 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.1 -83.09 0.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.696 -0.764 . . . . 74.54 112.487 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -73.1 -24.99 60.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.859 0.361 . . . . 62.33 110.878 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.66 -66.39 2.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.811 -0.709 . . . . 62.31 112.468 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 C-N-CA 120.8 -0.714 . . . . 73.03 112.57 -179.904 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 6.2 mttt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.837 0.351 . . . . 74.3 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . 0.424 ' HB2' ' CZ2' ' A' ' 5' ' ' TRP . 0.1 OUTLIER -120.8 -48.92 2.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 75.24 110.887 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.493 ' HB2' HD12 ' B' ' 7' ' ' ILE . 9.3 pt-20 -53.55 -47.7 69.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 74.41 110.943 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.22 -8.01 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 73.21 111.154 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.03 -27.01 14.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 65.03 111.144 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.419 HG22 ' O ' ' B' ' 2' ' ' TYR . 2.9 t -108.5 -2.99 18.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 74.41 111.168 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.493 HD12 ' HB2' ' B' ' 3' ' ' GLU . 76.3 mt -105.97 -29.3 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 73.41 111.142 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 33.6 t60 -62.88 -36.42 83.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.907 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.6 16.62 25.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 75.41 110.853 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.611 HD21 ' H ' ' B' ' 17' ' ' ARG . 2.3 tp -118.55 -32.12 4.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 74.24 110.916 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . 0.418 ' O ' ' C ' ' B' ' 12' ' ' ARG . 0.3 OUTLIER -56.58 -15.2 3.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 72.21 110.933 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' B' ' 11' ' ' PHE . 5.3 mtt180 -37.1 -73.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 72.44 110.838 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -120.84 -15.14 8.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 72.55 110.851 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.645 HD22 ' HG2' ' B' ' 17' ' ' ARG . 21.0 mt -116.44 110.69 18.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 63.3 110.934 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . 0.565 HG23 ' H ' ' B' ' 16' ' ' HIS . 0.1 OUTLIER -48.39 -82.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 71.31 111.148 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.565 ' H ' HG23 ' B' ' 15' ' ' THR . 0.3 OUTLIER -126.11 82.48 2.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 70.54 110.832 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.645 ' HG2' HD22 ' B' ' 14' ' ' LEU . 0.7 OUTLIER -121.0 -72.37 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 74.14 110.883 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 21.6 mt -58.56 -8.29 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 72.32 110.901 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -65.59 -51.85 56.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.888 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 24.7 mtp85 -115.08 -12.97 11.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 73.22 110.879 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 1.4 mmt-85 -90.22 -16.93 28.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 74.1 110.946 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -121.09 -46.98 2.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 72.24 110.888 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . 0.615 ' O ' HD23 ' B' ' 27' ' ' LEU . 75.6 m-85 -105.92 15.26 26.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 73.21 110.879 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.11 -20.57 23.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.741 . . . . 71.12 112.468 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.06 -2.07 46.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.032 0.444 . . . . 64.11 110.933 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.407 HG22 ' N ' ' B' ' 27' ' ' LEU . 1.1 m -109.25 -54.84 2.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 75.22 111.157 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.615 HD23 ' O ' ' B' ' 23' ' ' PHE . 1.3 pp -70.73 -0.57 9.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 71.11 110.896 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 65.53 110.848 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.872 0.368 . . . . 65.55 111.104 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.83 66.52 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 74.4 111.069 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.6 -9.25 9.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 75.45 110.875 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.47 ' O ' HG22 ' B' ' 5' ' ' THR . . . -87.31 -8.5 74.58 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.755 -0.736 . . . . 70.31 112.465 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.78 ' CD1' HG23 ' B' ' 6' ' ' THR . 1.1 m0 -123.64 -33.66 3.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.869 0.366 . . . . 73.12 110.91 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -54.74 7.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 74.2 110.877 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -65.12 -20.42 66.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 72.13 110.829 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.776 ' HG3' HD12 ' A' ' 11' ' ' LEU . 3.4 mptp? -77.89 80.18 4.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 63.32 110.865 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.497 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -72.7 -59.87 2.21 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.579 0.704 . . . . 75.22 110.898 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.9 Cg_endo -69.7 -6.36 18.39 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.688 2.259 . . . . 74.31 112.343 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.776 HD12 ' HG3' ' A' ' 8' ' ' LYS . 15.0 mt -105.49 -61.07 1.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.409 . . . . 64.02 110.911 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.836 ' HB2' HG21 ' B' ' 5' ' ' THR . 25.8 t80 -89.34 -42.06 11.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 65.34 110.873 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.52 -99.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.669 -0.777 . . . . 74.54 112.5 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -75.13 -16.51 60.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 62.33 110.917 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.21 -27.03 30.53 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.719 -0.753 . . . . 62.31 112.491 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 C-N-CA 120.75 -0.738 . . . . 73.03 112.561 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 1.8 mttt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.77 0.319 . . . . 74.3 110.962 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.8 -59.94 1.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 75.24 110.853 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -54.52 -44.1 72.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 74.41 110.915 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 tp -69.4 -7.16 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 73.21 111.152 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.836 HG21 ' HB2' ' A' ' 12' ' ' PHE . 24.0 m -95.74 -33.68 12.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 65.03 111.163 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.78 HG23 ' CD1' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -94.84 -37.3 11.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 74.41 111.131 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 97.7 mt -65.87 -36.02 76.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 73.41 111.134 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -79.51 -6.16 56.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.893 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -120.95 -0.13 10.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.893 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.523 HD22 ' HB2' ' B' ' 19' ' ' PHE . 1.1 pp -121.3 -18.05 7.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 74.24 110.962 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.72 -27.77 19.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 72.21 110.873 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -62.89 -62.71 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 72.44 110.89 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' B' ' 15' ' ' THR . 19.8 mttm -122.86 63.36 0.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 72.55 110.94 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.81 76.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 63.3 110.886 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . 0.525 ' N ' ' O ' ' B' ' 13' ' ' LYS . 1.0 OUTLIER -126.12 -37.71 2.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 71.31 111.147 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.424 ' HB3' HD23 ' B' ' 18' ' ' LEU . 95.6 m-70 -83.0 125.1 31.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 70.54 110.83 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.07 3.85 11.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 74.14 110.896 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.424 HD23 ' HB3' ' B' ' 16' ' ' HIS . 3.6 pp -49.85 -24.96 2.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 72.32 110.969 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.523 ' HB2' HD22 ' B' ' 10' ' ' LEU . 3.1 t80 -48.24 -58.82 4.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.849 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.408 ' HA ' ' HA3' ' B' ' 24' ' ' GLY . 24.6 ptt85 -107.76 -29.22 9.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 73.22 110.874 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -70.15 -18.36 63.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 74.1 110.81 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -122.86 -55.15 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 72.24 110.888 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -91.33 14.02 15.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.882 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.408 ' HA3' ' HA ' ' B' ' 20' ' ' ARG . . . -112.35 -22.56 5.79 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.72 -0.752 . . . . 71.12 112.458 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -79.05 -11.94 60.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.974 0.416 . . . . 64.11 110.911 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.409 HG22 HD22 ' B' ' 27' ' ' LEU . 1.1 m -97.41 -54.02 3.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 75.22 111.132 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.409 HD22 HG22 ' B' ' 26' ' ' THR . 2.6 mm? -69.46 -1.53 8.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 71.11 110.916 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 3.8 ttt85 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 65.53 110.908 179.898 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.793 0.33 . . . . 65.55 111.159 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.48 66.17 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 74.4 111.091 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.7 -8.26 9.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 75.45 110.889 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.35 -5.52 67.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 70.31 112.515 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -116.64 -5.24 11.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.851 0.357 . . . . 73.12 110.86 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.52 -33.36 5.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 74.2 110.932 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -56.69 -23.29 41.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 72.13 110.875 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.595 ' HG2' HD12 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -110.22 109.94 20.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 63.32 110.911 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.651 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -71.16 -51.52 10.25 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.569 0.699 . . . . 75.22 110.841 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.651 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.7 Cg_endo -69.78 16.65 0.21 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.704 2.269 . . . . 74.31 112.344 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.881 HD13 HG23 ' B' ' 5' ' ' THR . 12.2 mt -122.59 -77.44 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 64.02 110.906 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.27 -25.0 5.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 65.34 110.905 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.2 -83.21 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.68 -0.771 . . . . 74.54 112.574 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.56 -5.5 42.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 62.33 110.892 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -87.87 -44.83 5.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 62.31 112.432 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 C-N-CA 120.769 -0.729 . . . . 73.03 112.553 -179.914 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 14.4 mttt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.811 0.339 . . . . 74.3 110.885 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . 0.714 ' O ' HG22 ' B' ' 6' ' ' THR . 0.1 OUTLIER -121.34 -53.09 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 75.24 110.887 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.582 ' HB2' HD12 ' B' ' 7' ' ' ILE . 2.4 pt-20 -54.43 -46.28 73.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.089 -0.505 . . . . 74.41 110.884 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 pp -72.41 -2.69 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 73.21 111.192 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.881 HG23 HD13 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -104.21 -20.06 13.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 65.03 111.143 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.714 HG22 ' O ' ' B' ' 2' ' ' TYR . 0.3 OUTLIER -118.61 -5.31 10.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 74.41 111.144 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.582 HD12 ' HB2' ' B' ' 3' ' ' GLU . 62.4 mt -114.86 -11.97 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 73.41 111.118 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -123.91 -1.37 8.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 74.41 110.874 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -85.79 -61.51 1.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 75.41 110.88 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -123.82 -2.45 8.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.24 110.933 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -80.75 -1.02 41.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 72.21 110.847 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -67.27 -11.32 57.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.118 -0.492 . . . . 72.44 110.917 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.74 -75.31 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 72.55 110.833 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 mp -120.75 120.44 35.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 63.3 110.931 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 1.7 t -119.97 126.36 50.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 71.31 111.094 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -123.68 -98.8 0.43 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 70.54 110.872 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -125.46 -4.67 7.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.92 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 94.7 mt -49.95 -23.75 2.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 72.32 110.998 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.518 ' CE1' HD11 ' B' ' 7' ' ' ILE . 5.2 t80 -49.41 -63.55 1.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 74.13 110.901 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -104.11 -31.97 9.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 73.22 110.844 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -14.87 60.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 74.1 110.822 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -123.41 -60.37 1.48 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 72.24 110.904 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -89.69 13.66 13.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 73.21 110.924 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.42 -19.12 8.11 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.727 -0.749 . . . . 71.12 112.476 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -79.84 -13.21 59.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.971 0.415 . . . . 64.11 110.918 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.403 HG22 ' N ' ' B' ' 27' ' ' LEU . 1.0 OUTLIER -96.5 -54.23 3.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 75.22 111.092 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.403 ' N ' HG22 ' B' ' 26' ' ' THR . 0.4 OUTLIER -71.9 0.94 7.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 71.11 110.919 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 24.3 ttt-85 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 65.53 110.846 179.915 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.853 0.358 . . . . 65.55 111.05 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.13 72.59 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 74.4 111.081 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.71 -13.78 9.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.415 . . . . 75.45 110.899 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.3 -13.15 83.9 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.778 -0.725 . . . . 70.31 112.458 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.529 ' CD1' HG22 ' B' ' 5' ' ' THR . 8.6 m0 -118.85 -20.79 8.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.881 0.372 . . . . 73.12 110.919 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.18 -39.03 15.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 74.2 110.93 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -81.85 -17.17 48.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 72.13 110.864 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.755 ' HG3' HD12 ' A' ' 11' ' ' LEU . 8.7 mptt -81.65 108.61 15.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 63.32 110.884 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.54 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -93.11 -64.96 0.13 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.639 0.733 . . . . 75.22 110.923 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 9' ' ' CYS . 53.2 Cg_endo -69.7 -13.3 34.63 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.748 2.299 . . . . 74.31 112.367 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.755 HD12 ' HG3' ' A' ' 8' ' ' LYS . 4.9 mt -83.74 -76.78 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 64.02 110.906 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.503 ' HB2' HG21 ' B' ' 5' ' ' THR . 5.0 t80 -118.6 -12.62 9.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 65.34 110.919 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.79 -108.91 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.77 -0.729 . . . . 74.54 112.479 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -74.68 -17.3 60.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 62.33 110.882 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.33 47.94 1.93 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.794 -0.717 . . . . 62.31 112.521 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.739 -0.744 . . . . 73.03 112.572 -179.94 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 12.5 mttt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.757 0.313 . . . . 74.3 110.912 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . 0.521 ' O ' HG22 ' B' ' 6' ' ' THR . 0.1 OUTLIER -122.47 -50.78 1.98 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 75.24 110.924 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -54.67 -44.64 73.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 74.41 110.819 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.514 ' O ' HD12 ' B' ' 4' ' ' ILE . 1.4 pp -75.37 2.76 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 73.21 111.111 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.529 HG22 ' CD1' ' A' ' 5' ' ' TRP . 46.2 m -106.2 -24.97 12.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 65.03 111.166 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.521 HG22 ' O ' ' B' ' 2' ' ' TYR . 0.2 OUTLIER -118.23 -7.09 10.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 74.41 111.122 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.784 HD11 ' CG ' ' B' ' 19' ' ' PHE . 9.7 mt -122.42 4.3 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 73.41 111.142 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -117.92 -19.2 9.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.41 110.886 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.474 HD22 HD23 ' B' ' 10' ' ' LEU . 2.8 p-10 -69.91 -63.84 1.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 75.41 110.858 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.474 HD23 HD22 ' B' ' 9' ' ' ASN . 0.7 OUTLIER -126.76 -1.91 6.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 74.24 110.928 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . 0.751 ' CE1' HD21 ' B' ' 18' ' ' LEU . 1.4 m-30 -115.0 24.5 11.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 72.21 110.901 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.15 -36.3 13.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 72.44 110.865 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.456 ' O ' HD22 ' B' ' 14' ' ' LEU . 8.2 mtpt -120.6 12.95 11.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 72.55 110.906 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.64 HD12 ' NE2' ' B' ' 16' ' ' HIS . 4.0 mm? -122.33 119.71 31.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 63.3 110.835 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -122.32 104.15 9.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 71.31 111.133 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.64 ' NE2' HD12 ' B' ' 14' ' ' LEU . 41.7 m170 -111.86 -125.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 70.54 110.865 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 10.6 ptt180 -124.11 -24.84 4.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 74.14 110.856 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.751 HD21 ' CE1' ' B' ' 11' ' ' PHE . 2.6 pp -48.63 -25.04 1.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.852 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.784 ' CG ' HD11 ' B' ' 7' ' ' ILE . 4.2 t80 -46.2 -64.62 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 74.13 110.871 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.42 -23.53 13.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 73.22 110.928 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.04 -15.99 61.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 74.1 110.87 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.59 -56.67 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 72.24 110.868 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -92.94 13.26 21.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 73.21 110.856 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -108.8 -17.29 10.49 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 71.12 112.494 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -79.38 -13.84 59.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.94 0.4 . . . . 64.11 110.906 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.413 HG22 ' N ' ' B' ' 27' ' ' LEU . 1.0 OUTLIER -87.22 -53.63 4.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 75.22 111.163 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.413 ' N ' HG22 ' B' ' 26' ' ' THR . 0.4 OUTLIER -71.46 0.31 8.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 71.11 110.879 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 65.53 110.85 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 48.6 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.75 0.31 . . . . 65.55 111.147 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.0 72.37 0.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 74.4 111.065 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.03 -6.72 9.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 75.45 110.89 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.77 -6.31 63.85 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.785 -0.721 . . . . 70.31 112.45 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.586 ' NE1' HG23 ' B' ' 5' ' ' THR . 16.8 m0 -118.74 -26.37 6.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 73.12 110.936 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -104.41 -57.37 2.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 74.2 110.858 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.79 -48.31 63.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 72.13 110.833 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.16 -77.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 63.32 110.895 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.5 ' SG ' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -121.04 118.77 30.12 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.634 0.73 . . . . 75.22 110.92 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 39.25 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.668 2.246 . . . . 74.31 112.308 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.847 HD13 HD13 ' B' ' 4' ' ' ILE . 0.5 OUTLIER -98.89 -53.65 3.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.253 -0.43 . . . . 64.02 110.959 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -49.7 -33.63 16.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 65.34 110.872 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.74 -85.72 1.86 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.667 -0.778 . . . . 74.54 112.531 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -52.59 -45.52 66.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 62.33 110.922 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -51.46 -36.2 37.89 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.694 -0.765 . . . . 62.31 112.53 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 C-N-CA 120.733 -0.746 . . . . 73.03 112.49 -179.931 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 3.6 mptt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.769 0.319 . . . . 74.3 110.937 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . 0.773 ' O ' HG22 ' B' ' 5' ' ' THR . 0.9 OUTLIER -116.91 -44.61 2.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 75.24 110.952 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.545 ' HA ' HG23 ' B' ' 6' ' ' THR . 2.8 pt-20 -50.48 -24.13 2.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 74.41 110.886 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.847 HD13 HD13 ' A' ' 11' ' ' LEU . 2.4 pp -73.15 -8.79 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.105 -0.498 . . . . 73.21 111.103 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.773 HG22 ' O ' ' B' ' 2' ' ' TYR . 9.3 t -122.27 -12.89 8.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 65.03 111.054 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.647 ' O ' HD13 ' B' ' 10' ' ' LEU . 0.5 OUTLIER -113.42 -8.11 13.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.311 -0.404 . . . . 74.41 111.141 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.585 ' HA ' HD22 ' B' ' 10' ' ' LEU . 19.8 mm -116.83 -28.71 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 73.41 111.187 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.28 -5.5 15.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 74.41 110.83 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -121.93 20.5 10.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 75.41 110.835 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.647 HD13 ' O ' ' B' ' 6' ' ' THR . 1.3 pt? -120.44 -21.8 6.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 74.24 110.92 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -46.76 -29.49 1.95 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 72.21 110.869 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 5.1 mmt85 -72.85 -48.18 39.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 72.44 110.835 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.524 ' O ' ' C ' ' B' ' 14' ' ' LEU . 29.1 ttmt -123.52 57.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 72.55 110.918 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.524 ' C ' ' O ' ' B' ' 13' ' ' LYS . 0.4 OUTLIER -27.77 106.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 63.3 110.845 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . 0.619 HG22 HD12 ' B' ' 18' ' ' LEU . 1.0 OUTLIER -81.8 121.4 26.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 71.31 111.146 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -55.68 -76.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 70.54 110.864 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -119.96 -8.88 9.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 74.14 110.885 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.619 HD12 HG22 ' B' ' 15' ' ' THR . 76.4 mt -52.75 -22.74 5.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 72.32 110.946 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -49.36 -59.6 3.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 74.13 110.904 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.86 -28.22 10.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.052 -0.522 . . . . 73.22 110.837 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.42 -17.37 62.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 74.1 110.894 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -122.66 -54.89 1.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 72.24 110.841 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -92.84 13.88 19.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 73.21 110.886 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.91 -22.88 5.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 71.12 112.532 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -78.27 -12.86 60.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.915 0.388 . . . . 64.11 110.945 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.401 HG22 ' N ' ' B' ' 27' ' ' LEU . 1.0 OUTLIER -96.55 -54.42 3.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.072 -0.513 . . . . 75.22 111.114 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.401 ' N ' HG22 ' B' ' 26' ' ' THR . 0.4 OUTLIER -72.32 1.41 7.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 71.11 110.902 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 65.53 110.8 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.862 0.363 . . . . 65.55 111.103 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.17 64.6 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 74.4 111.138 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -120.48 -7.91 9.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 75.45 110.87 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.79 -4.68 65.16 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 70.31 112.5 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -116.66 -4.3 11.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.784 0.326 . . . . 73.12 110.885 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.92 -34.89 4.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 74.2 110.886 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -51.71 -27.77 12.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.431 . . . . 72.13 110.869 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.502 ' CB ' HD12 ' A' ' 11' ' ' LEU . 5.1 mptp? -109.6 113.72 26.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 63.32 110.891 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.615 ' N ' ' HD2' ' A' ' 10' ' ' PRO . 1.8 m -71.35 -53.88 7.46 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.565 0.698 . . . . 75.22 110.859 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 9' ' ' CYS . 53.8 Cg_endo -69.72 21.4 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.698 2.265 . . . . 74.31 112.337 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.846 HD13 HG23 ' B' ' 5' ' ' THR . 8.6 mt -122.05 -77.81 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 64.02 110.951 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.23 -20.51 7.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 65.34 110.866 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.72 -76.79 0.21 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.702 -0.761 . . . . 74.54 112.476 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.7 mtpt -90.72 -16.42 28.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.348 . . . . 62.33 110.885 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.53 -29.89 63.06 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 62.31 112.495 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.743 . . . . 73.03 112.506 -179.918 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.782 0.325 . . . . 74.3 110.874 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . 0.684 ' O ' HG22 ' B' ' 6' ' ' THR . 0.1 OUTLIER -121.07 -54.97 1.99 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 75.24 110.972 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.62 ' HB2' HD12 ' B' ' 7' ' ' ILE . 0.9 OUTLIER -53.23 -47.29 69.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.121 -0.49 . . . . 74.41 110.89 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.46 ' O ' HD13 ' B' ' 4' ' ' ILE . 0.0 OUTLIER -68.64 -10.87 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 73.21 111.117 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.846 HG23 HD13 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -95.19 -20.43 19.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 65.03 111.134 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.684 HG22 ' O ' ' B' ' 2' ' ' TYR . 0.1 OUTLIER -116.7 -6.6 11.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.449 . . . . 74.41 111.13 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.62 HD12 ' HB2' ' B' ' 3' ' ' GLU . 84.9 mt -110.52 -13.64 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 73.41 111.118 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.48 -1.38 9.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.87 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -86.23 -59.19 2.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 75.41 110.84 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -122.11 -6.0 8.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.44 . . . . 74.24 110.951 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . 0.754 ' CD1' HG22 ' B' ' 15' ' ' THR . 0.9 OUTLIER -82.95 -0.3 47.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 72.21 110.879 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -61.65 -17.65 56.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 72.44 110.888 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.48 -74.58 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 72.55 110.94 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 19.9 mt -120.2 115.94 24.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 63.3 110.939 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . 0.754 HG22 ' CD1' ' B' ' 11' ' ' PHE . 2.9 p -87.66 101.98 14.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 71.31 111.113 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -97.68 -122.5 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 70.54 110.921 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.86 -2.18 8.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 74.14 110.879 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 19.8 mt -49.6 -24.52 2.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 72.32 110.942 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -47.96 -61.68 1.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 74.13 110.889 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.418 ' HA ' ' HA3' ' B' ' 24' ' ' GLY . 0.1 OUTLIER -109.23 -30.9 7.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 73.22 110.888 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.5 -16.99 64.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 74.1 110.825 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -123.91 -57.75 1.6 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.249 -0.432 . . . . 72.24 110.919 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -90.23 12.85 16.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 73.21 110.961 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.418 ' HA3' ' HA ' ' B' ' 20' ' ' ARG . . . -106.6 -5.28 36.61 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.76 -0.733 . . . . 71.12 112.528 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.8 -3.45 48.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.982 0.42 . . . . 64.11 110.952 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.76 -52.38 4.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 75.22 111.146 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.687 HD22 ' O ' ' B' ' 27' ' ' LEU . 0.0 OUTLIER -69.27 -1.65 8.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 71.11 110.891 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.475 ' N ' HD13 ' B' ' 27' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 65.53 110.853 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 29.0 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.798 0.332 . . . . 65.55 111.096 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.38 74.05 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 74.4 111.086 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -111.42 -21.66 11.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 75.45 110.874 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.17 -10.08 84.2 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 70.31 112.433 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -118.0 -14.61 9.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.848 0.356 . . . . 73.12 110.963 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -120.46 -54.26 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 74.2 110.915 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -59.62 -54.84 41.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 72.13 110.834 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -76.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 63.32 110.877 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.595 ' HB3' HD12 ' A' ' 11' ' ' LEU . 18.1 t -121.15 114.92 31.83 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 121.594 0.712 . . . . 75.22 110.876 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 38.88 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.624 2.216 . . . . 74.31 112.348 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.78 ' O ' HD22 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -103.39 -6.51 21.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 64.02 110.948 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.653 ' N ' HD13 ' A' ' 11' ' ' LEU . 2.0 t80 -120.58 -17.63 8.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 65.34 110.979 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.53 -65.38 1.62 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 74.54 112.535 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.5 pttp -69.22 -30.09 68.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.709 0.29 . . . . 62.33 110.909 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -76.64 -80.11 0.63 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.707 -0.759 . . . . 62.31 112.506 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.692 -0.766 . . . . 73.03 112.517 -179.923 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.814 0.34 . . . . 74.3 110.931 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.9 -54.07 2.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 75.24 110.899 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -52.66 -46.99 67.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 74.41 110.837 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.48 ' O ' HG22 ' B' ' 4' ' ' ILE . 3.1 mp -69.75 -4.74 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 73.21 111.166 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 92.4 m -100.23 -21.49 15.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 65.03 111.175 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.2 t -121.46 -0.4 9.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 74.41 111.114 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.411 ' HA ' ' HB2' ' B' ' 11' ' ' PHE . 1.3 tp -118.59 -14.18 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 73.41 111.084 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.61 6.26 7.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.85 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -99.74 -55.23 2.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 75.41 110.917 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.538 ' H ' HD23 ' B' ' 10' ' ' LEU . 2.2 pt? -120.47 -6.27 9.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 74.24 110.937 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' PHE . . . . . 0.411 ' HB2' ' HA ' ' B' ' 7' ' ' ILE . 0.1 OUTLIER -78.6 1.05 23.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 72.21 110.94 179.886 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 17.0 mtt-85 -48.12 -71.14 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 72.44 110.868 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -121.64 -3.18 9.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 72.55 110.926 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mt -120.33 115.02 22.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 63.3 110.889 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.34 104.12 15.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 71.31 111.154 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.733 ' CB ' HD22 ' B' ' 18' ' ' LEU . 21.9 m-70 -105.24 123.77 48.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 70.54 110.853 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -12.2 44.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 74.14 110.861 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.733 HD22 ' CB ' ' B' ' 16' ' ' HIS . 0.9 OUTLIER -48.87 -23.81 1.23 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.869 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.619 ' N ' HD23 ' B' ' 18' ' ' LEU . 4.0 t80 -50.63 -61.59 2.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.943 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -104.3 -13.06 16.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 73.22 110.841 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.96 -22.65 27.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 74.1 110.861 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -123.12 -43.3 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 72.24 110.913 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -102.89 13.13 35.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 73.21 110.845 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.23 -16.78 62.02 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.748 -0.739 . . . . 71.12 112.467 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -59.96 -32.7 71.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.0 0.429 . . . . 64.11 110.971 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -91.65 -53.2 4.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 75.22 111.101 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.31 -1.8 7.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 71.11 110.9 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 65.53 110.865 179.957 . . . . . . . . 0 0 . 1 stop_ save_