data_2jpy_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2jpy _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 tp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.739 0.304 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.64 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 3.5 mt -71.13 -37.01 5.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.24 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 31.7 Cg_exo -56.98 -30.0 84.76 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.392 2.061 . . . . 0.0 112.083 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -79.49 -40.07 30.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.738 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.66 -50.35 74.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.795 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.7 mt -55.16 -42.91 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.751 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -59.42 -53.28 59.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.59 -45.74 38.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.422 ' C ' ' N ' ' A' ' 14' ' ' THR . 95.2 t -60.8 -52.8 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.691 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -49.1 -16.38 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.646 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.422 ' N ' ' C ' ' A' ' 12' ' ' VAL . 3.6 m -79.02 -37.58 38.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.164 0.507 . . . . 0.0 110.425 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 mt -59.15 -41.34 88.11 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.468 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 t -72.28 -18.77 19.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.626 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -76.3 -59.03 2.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.678 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -70.41 -67.49 0.49 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.689 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.566 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.9 tp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.705 0.288 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.66 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 56.4 mt -77.29 -33.7 1.1 Allowed Pre-proline 0 N--CA 1.454 -0.259 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.385 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.66 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 32.0 Cg_exo -56.7 -53.84 4.58 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 122.255 1.97 . . . . 0.0 112.15 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -66.77 -29.06 68.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.62 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.82 -54.13 46.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.611 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 80.7 mt -48.28 -51.27 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.595 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -45.5 -45.58 13.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.586 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.437 ' O ' ' OG1' ' A' ' 14' ' ' THR . . . -61.01 -61.58 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.655 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.488 ' C ' ' H ' ' A' ' 14' ' ' THR . 13.8 t -49.19 -32.53 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.712 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -46.16 -15.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.629 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.488 ' H ' ' C ' ' A' ' 12' ' ' VAL . 1.6 p -69.27 -38.43 78.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.244 0.545 . . . . 0.0 110.515 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 mt -58.35 -50.07 74.94 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.354 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.2 t -59.88 -22.27 23.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -65.36 -56.04 14.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.673 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -81.49 -64.44 1.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.668 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.491 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 CA--C 1.527 0.086 0 CA-C-O 120.797 0.332 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.65 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 8.0 mm -74.4 -35.74 2.34 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.46 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 32.5 Cg_exo -56.1 -32.71 87.71 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.423 2.082 . . . . 0.0 112.215 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.95 -38.68 64.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.579 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.01 -42.69 69.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.591 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.9 mt -58.46 -42.96 85.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.756 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -43.91 -60.67 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.768 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.02 -43.74 50.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.728 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.467 ' C ' ' N ' ' A' ' 14' ' ' THR . 92.0 t -65.81 -59.43 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.644 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.05 -18.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.699 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.467 ' N ' ' C ' ' A' ' 12' ' ' VAL . 2.1 m -82.3 -43.76 17.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.227 0.537 . . . . 0.0 110.453 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 mt -56.86 -43.73 81.49 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.658 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.0 t -64.38 -17.47 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.456 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -72.6 -55.6 6.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.647 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -84.81 -64.47 1.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.581 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.477 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.7 tp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.78 0.324 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.668 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 16.6 mt -77.68 -33.85 1.07 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.664 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 39.6 Cg_exo -55.24 -47.1 27.96 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.237 1.958 . . . . 0.0 112.213 -179.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -66.42 -34.2 77.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.507 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.59 -48.2 81.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.604 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.8 mt -54.52 -49.3 67.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.624 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -56.82 -43.9 81.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.66 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.428 ' O ' ' OG1' ' A' ' 14' ' ' THR . . . -48.98 -37.63 20.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.748 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.7 t -70.51 -41.82 78.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.8 -21.97 66.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.614 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 11' ' ' ALA . 0.7 OUTLIER -82.2 -34.38 29.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.119 0.485 . . . . 0.0 110.304 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.3 mt -60.39 -52.61 64.52 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.236 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.4 t -65.14 -20.66 27.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.765 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -66.32 -62.96 1.19 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.632 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -84.36 -66.45 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.582 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.438 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 tp . . . . . 0 N--CA 1.461 0.117 0 CA-C-O 120.832 0.349 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.664 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 7.3 mm -73.1 -36.28 3.21 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.28 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.664 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 31.9 Cg_exo -56.83 -37.68 97.53 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 122.428 2.085 . . . . 0.0 112.132 -179.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -75.13 -24.92 58.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.692 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.41 -47.96 82.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.715 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.0 mt -43.75 -44.15 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.71 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -61.44 -47.28 86.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.744 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.0 -59.88 3.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.725 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.48 ' C ' ' H ' ' A' ' 14' ' ' THR . 43.4 t -55.95 -46.36 80.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.673 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -46.75 -15.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.739 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.48 ' H ' ' C ' ' A' ' 12' ' ' VAL . 4.6 m -78.68 -46.01 20.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.228 0.537 . . . . 0.0 110.599 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 mt -53.58 -47.11 70.43 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.84 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 t -64.09 -16.01 18.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.703 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.412 ' CB ' ' O ' ' A' ' 14' ' ' THR . 7.1 t60 -63.14 -56.7 14.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.558 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -83.29 -53.67 5.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.545 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.601 -179.926 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 tp . . . . . 0 N--CA 1.462 0.162 0 CA-C-O 120.761 0.315 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.645 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 4.0 mt -73.23 -36.59 3.3 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.384 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 35.6 Cg_exo -55.7 -43.29 58.99 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 122.431 2.087 . . . . 0.0 112.165 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -55.78 -40.27 72.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.561 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.83 -42.13 88.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.702 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.445 HG21 HD13 ' A' ' 9' ' ' ILE . 18.7 mm -57.62 -61.69 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.636 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.523 ' C ' HD21 ' A' ' 10' ' ' ASN . 0.1 OUTLIER -45.81 -36.64 5.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.708 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.48 ' O ' ' OG1' ' A' ' 14' ' ' THR . . . -60.17 -31.78 70.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.581 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.2 t -78.15 -33.45 17.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.72 -20.51 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 11' ' ' ALA . 8.0 p -80.69 -42.4 22.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.226 0.536 . . . . 0.0 110.47 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 mt -57.79 -48.57 79.32 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.148 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.7 t -63.49 -24.37 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.705 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -74.08 -51.22 16.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.659 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -74.5 -66.28 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.422 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.574 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.8 tp . . . . . 0 N--CA 1.463 0.181 0 CA-C-O 120.758 0.313 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.659 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 9.9 mm -74.23 -35.44 2.3 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.373 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.659 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 32.4 Cg_exo -56.72 -31.88 89.28 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 122.395 2.063 . . . . 0.0 111.95 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -82.03 -29.87 31.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.496 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.47 -48.55 79.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.69 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.7 mt -49.39 -62.87 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.475 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -50.94 -47.83 60.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.493 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -44.6 -45.9 9.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.526 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.8 t -62.02 -52.69 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.656 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.0 -19.87 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.591 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -85.26 -35.75 21.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.178 0.513 . . . . 0.0 110.357 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 mt -61.03 -45.23 95.61 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.574 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.1 t -67.05 -12.0 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.789 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -54.23 -60.11 3.77 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.293 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -86.23 -52.42 5.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.263 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.404 179.916 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.5 tp . . . . . 0 CA--C 1.528 0.103 0 CA-C-O 120.695 0.283 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 6.3 mm -71.41 -37.51 5.68 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.684 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 31.3 Cg_exo -57.51 -43.19 53.42 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 122.46 2.107 . . . . 0.0 112.156 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.427 ' O ' ' ND1' ' A' ' 7' ' ' HIS . 13.2 t-80 -59.7 -32.52 70.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.729 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 -45.87 91.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.712 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.427 HG22 HD13 ' A' ' 9' ' ' ILE . 17.8 mm -47.8 -49.84 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.627 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -54.45 -35.7 63.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.732 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.08 -48.7 72.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.8 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.464 ' C ' ' N ' ' A' ' 14' ' ' THR . 21.5 t -53.38 -41.23 43.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.785 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.49 -16.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.526 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.464 ' N ' ' C ' ' A' ' 12' ' ' VAL . 4.7 m -79.72 -43.85 21.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.181 0.515 . . . . 0.0 110.335 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 mt -55.26 -42.88 74.1 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.598 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.0 t -65.42 -18.87 24.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.561 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -66.34 -41.45 89.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.486 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -93.17 -61.97 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.49 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.493 -179.935 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.9 tp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.746 0.308 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.647 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 3.3 mt -72.44 -36.97 4.15 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.3 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 32.5 Cg_exo -56.09 -24.17 48.07 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.416 2.077 . . . . 0.0 112.051 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -76.46 -36.2 58.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.491 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.24 -45.68 90.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.595 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.5 mm -55.92 -41.87 68.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.563 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -59.42 -48.09 82.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.595 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.446 ' O ' ' OG1' ' A' ' 14' ' ' THR . . . -50.16 -34.1 21.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.582 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.8 t -77.31 -50.89 19.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.69 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.02 -21.9 34.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.753 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 11' ' ' ALA . 0.8 OUTLIER -76.79 -36.09 57.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.245 0.545 . . . . 0.0 110.348 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 mt -63.1 -48.84 76.88 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.135 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.5 t -63.12 -16.76 18.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.757 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -62.55 -69.87 0.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.498 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.21 -62.55 1.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.45 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.471 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.462 0.159 0 CA-C-O 120.961 0.41 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.652 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 7.2 mm -72.72 -36.32 3.52 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.365 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.652 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 31.8 Cg_exo -57.0 -48.35 18.7 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.459 2.106 . . . . 0.0 112.08 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.507 ' O ' ' ND1' ' A' ' 7' ' ' HIS . 2.3 t-80 -50.44 -37.99 41.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.593 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.74 -56.04 21.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.622 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.4 mt -60.72 -53.34 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.641 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.521 ' C ' HD21 ' A' ' 10' ' ' ASN . 0.2 OUTLIER -44.3 -44.84 8.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.691 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.05 -62.65 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.654 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.0 t -57.45 -46.49 85.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.675 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.6 -15.79 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.42 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 m -76.04 -37.9 57.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.087 0.47 . . . . 0.0 110.326 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 mt -59.51 -41.73 90.6 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.491 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.0 t -72.35 -20.32 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.278 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -81.35 -51.81 7.96 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.819 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -77.7 -67.62 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.721 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.579 179.994 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 4.3 p90 . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.459 ' O ' ' OG ' ' A' ' 3' ' ' SER . 2.1 tt -78.64 96.81 5.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.527 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.459 ' OG ' ' O ' ' A' ' 2' ' ' LEU . 8.4 m -177.2 25.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.356 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 tp -119.03 -17.59 8.97 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.651 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.64 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 3.5 mt -71.13 -37.01 5.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.24 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 31.7 Cg_exo -56.98 -30.0 84.76 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.392 2.061 . . . . 0.0 112.083 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -79.49 -40.07 30.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.738 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.66 -50.35 74.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.795 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.7 mt -55.16 -42.91 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.751 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -59.42 -53.28 59.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.59 -45.74 38.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.422 ' C ' ' N ' ' A' ' 14' ' ' THR . 95.2 t -60.8 -52.8 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.691 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -49.1 -16.38 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.646 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.422 ' N ' ' C ' ' A' ' 12' ' ' VAL . 3.6 m -79.02 -37.58 38.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.164 0.507 . . . . 0.0 110.425 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 mt -59.15 -41.34 88.11 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.468 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 t -72.28 -18.77 19.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.626 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -76.3 -59.03 2.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.678 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -70.41 -67.49 0.49 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.689 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -69.33 -62.3 1.44 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.566 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 120.091 -1.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 65.2 mt 51.94 -97.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.571 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m 56.28 179.81 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.373 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.9 tp -82.52 40.14 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.706 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.66 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 56.4 mt -77.29 -33.7 1.1 Allowed Pre-proline 0 N--CA 1.454 -0.259 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.385 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.66 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 32.0 Cg_exo -56.7 -53.84 4.58 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 122.255 1.97 . . . . 0.0 112.15 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -66.77 -29.06 68.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.62 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.82 -54.13 46.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.611 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 80.7 mt -48.28 -51.27 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.595 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -45.5 -45.58 13.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.586 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.437 ' O ' ' OG1' ' A' ' 14' ' ' THR . . . -61.01 -61.58 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.655 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.488 ' C ' ' H ' ' A' ' 14' ' ' THR . 13.8 t -49.19 -32.53 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.712 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -46.16 -15.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.629 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.488 ' H ' ' C ' ' A' ' 12' ' ' VAL . 1.6 p -69.27 -38.43 78.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.244 0.545 . . . . 0.0 110.515 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 mt -58.35 -50.07 74.94 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.354 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.2 t -59.88 -22.27 23.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -65.36 -56.04 14.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.673 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -81.49 -64.44 1.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.668 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -59.24 -6.65 0.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.491 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 120.045 -1.66 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 18.2 p90 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.442 ' O ' ' OG ' ' A' ' 3' ' ' SER . 0.2 OUTLIER -90.61 81.3 5.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.441 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 2' ' ' LEU . 8.9 m -175.97 -18.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.529 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.8 mp -100.63 -3.46 30.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.442 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.65 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 8.0 mm -74.4 -35.74 2.34 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.46 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 32.5 Cg_exo -56.1 -32.71 87.71 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.423 2.082 . . . . 0.0 112.215 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.95 -38.68 64.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.579 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.01 -42.69 69.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.591 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.9 mt -58.46 -42.96 85.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.756 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -43.91 -60.67 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.768 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.02 -43.74 50.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.728 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.467 ' C ' ' N ' ' A' ' 14' ' ' THR . 92.0 t -65.81 -59.43 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.644 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.05 -18.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.699 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.467 ' N ' ' C ' ' A' ' 12' ' ' VAL . 2.1 m -82.3 -43.76 17.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.227 0.537 . . . . 0.0 110.453 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 mt -56.86 -43.73 81.49 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.658 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.0 t -64.38 -17.47 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.456 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -72.6 -55.6 6.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.647 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.556 ' C ' ' HN2' ' A' ' 20' ' ' NH2 . 1.7 t-80 -84.81 -64.47 1.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.581 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -64.63 15.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.477 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . 0.556 ' HN2' ' C ' ' A' ' 18' ' ' HIS . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 120.046 -1.659 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.413 ' O ' ' O ' ' A' ' 3' ' ' SER . 18.2 mt 57.55 67.79 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.577 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 2' ' ' LEU . 16.4 m -60.66 -141.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.6 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.7 tp -83.8 34.46 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.473 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.668 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 16.6 mt -77.68 -33.85 1.07 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.664 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 39.6 Cg_exo -55.24 -47.1 27.96 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.237 1.958 . . . . 0.0 112.213 -179.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -66.42 -34.2 77.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.507 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.59 -48.2 81.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.604 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.8 mt -54.52 -49.3 67.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.624 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -56.82 -43.9 81.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.66 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.428 ' O ' ' OG1' ' A' ' 14' ' ' THR . . . -48.98 -37.63 20.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.748 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.7 t -70.51 -41.82 78.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.8 -21.97 66.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.614 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 11' ' ' ALA . 0.7 OUTLIER -82.2 -34.38 29.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.119 0.485 . . . . 0.0 110.304 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.3 mt -60.39 -52.61 64.52 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.236 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.4 t -65.14 -20.66 27.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.765 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -66.32 -62.96 1.19 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.632 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -84.36 -66.45 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.582 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -65.15 -102.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.438 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.292 0 O-C-N 120.034 -1.667 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 2' ' ' LEU . 3.5 mm? -74.3 -177.55 3.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.421 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t 57.1 18.93 4.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.523 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 tp -105.97 -8.26 17.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.449 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.664 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 7.3 mm -73.1 -36.28 3.21 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.28 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.664 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 31.9 Cg_exo -56.83 -37.68 97.53 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 122.428 2.085 . . . . 0.0 112.132 -179.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -75.13 -24.92 58.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.692 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.41 -47.96 82.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.715 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.0 mt -43.75 -44.15 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.71 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -61.44 -47.28 86.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.744 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.0 -59.88 3.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.725 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.48 ' C ' ' H ' ' A' ' 14' ' ' THR . 43.4 t -55.95 -46.36 80.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.673 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -46.75 -15.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.739 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.48 ' H ' ' C ' ' A' ' 12' ' ' VAL . 4.6 m -78.68 -46.01 20.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.228 0.537 . . . . 0.0 110.599 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 mt -53.58 -47.11 70.43 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.84 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.4 t -64.09 -16.01 18.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.703 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.412 ' CB ' ' O ' ' A' ' 14' ' ' THR . 7.1 t60 -63.14 -56.7 14.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.558 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -83.29 -53.67 5.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.545 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -66.09 -76.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.601 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.073 -1.642 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.447 ' O ' ' OG ' ' A' ' 3' ' ' SER . 13.4 mt 55.34 39.35 31.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.624 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.447 ' OG ' ' O ' ' A' ' 2' ' ' LEU . 4.8 m -177.92 -8.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.63 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 tp -123.09 -12.77 7.88 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.526 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.645 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 4.0 mt -73.23 -36.59 3.3 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.384 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 35.6 Cg_exo -55.7 -43.29 58.99 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 122.431 2.087 . . . . 0.0 112.165 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -55.78 -40.27 72.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.561 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.83 -42.13 88.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.702 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.445 HG21 HD13 ' A' ' 9' ' ' ILE . 18.7 mm -57.62 -61.69 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.636 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.523 ' C ' HD21 ' A' ' 10' ' ' ASN . 0.1 OUTLIER -45.81 -36.64 5.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.708 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.48 ' O ' ' OG1' ' A' ' 14' ' ' THR . . . -60.17 -31.78 70.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.581 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.2 t -78.15 -33.45 17.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.72 -20.51 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 11' ' ' ALA . 8.0 p -80.69 -42.4 22.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.226 0.536 . . . . 0.0 110.47 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 mt -57.79 -48.57 79.32 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.148 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.7 t -63.49 -24.37 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.705 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -74.08 -51.22 16.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.659 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.508 ' C ' ' HN2' ' A' ' 20' ' ' NH2 . 26.9 m-70 -74.5 -66.28 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.422 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -69.34 28.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.574 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . 0.508 ' HN2' ' C ' ' A' ' 18' ' ' HIS . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 120.071 -1.643 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.486 ' N ' ' CD1' ' A' ' 1' ' ' PHE . 3.9 m-85 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.451 ' O ' ' OG ' ' A' ' 3' ' ' SER . 7.3 mp -81.54 130.5 35.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.433 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.451 ' OG ' ' O ' ' A' ' 2' ' ' LEU . 3.6 m 178.86 1.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.589 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.403 ' H ' ' H ' ' A' ' 3' ' ' SER . 4.8 tp -118.57 -30.66 5.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.476 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.659 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 9.9 mm -74.23 -35.44 2.3 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.373 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.659 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 32.4 Cg_exo -56.72 -31.88 89.28 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 122.395 2.063 . . . . 0.0 111.95 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -82.03 -29.87 31.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.496 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.47 -48.55 79.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.69 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.7 mt -49.39 -62.87 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.475 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -50.94 -47.83 60.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.493 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -44.6 -45.9 9.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.526 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.8 t -62.02 -52.69 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.656 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.0 -19.87 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.591 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -85.26 -35.75 21.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.178 0.513 . . . . 0.0 110.357 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 mt -61.03 -45.23 95.61 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.574 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.1 t -67.05 -12.0 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.789 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -54.23 -60.11 3.77 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.293 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -86.23 -52.42 5.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.263 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -49.84 -79.9 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.404 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 120.105 -1.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 27.3 mt -59.31 -175.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.501 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 t 54.74 30.59 13.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.618 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.5 tp -115.88 -57.97 2.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.831 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 6.3 mm -71.41 -37.51 5.68 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.684 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 31.3 Cg_exo -57.51 -43.19 53.42 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 122.46 2.107 . . . . 0.0 112.156 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.427 ' O ' ' ND1' ' A' ' 7' ' ' HIS . 13.2 t-80 -59.7 -32.52 70.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.729 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 -45.87 91.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.712 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.427 HG22 HD13 ' A' ' 9' ' ' ILE . 17.8 mm -47.8 -49.84 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.627 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -54.45 -35.7 63.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.732 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.08 -48.7 72.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.8 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.464 ' C ' ' N ' ' A' ' 14' ' ' THR . 21.5 t -53.38 -41.23 43.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.785 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.49 -16.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.526 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.464 ' N ' ' C ' ' A' ' 12' ' ' VAL . 4.7 m -79.72 -43.85 21.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.181 0.515 . . . . 0.0 110.335 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 mt -55.26 -42.88 74.1 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.598 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.0 t -65.42 -18.87 24.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.561 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -66.34 -41.45 89.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.486 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -93.17 -61.97 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.49 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -45.92 -62.16 1.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.493 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 120.018 -1.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.463 ' O ' ' O ' ' A' ' 2' ' ' LEU . 7.6 m-85 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.483 ' N ' ' CD1' ' A' ' 2' ' ' LEU . 9.2 mp 57.04 122.54 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.57 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.16 -3.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.513 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.9 tp -116.46 -18.87 10.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.505 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.647 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 3.3 mt -72.44 -36.97 4.15 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.3 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 32.5 Cg_exo -56.09 -24.17 48.07 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.416 2.077 . . . . 0.0 112.051 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -76.46 -36.2 58.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.491 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.24 -45.68 90.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.595 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.5 mm -55.92 -41.87 68.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.563 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -59.42 -48.09 82.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.595 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.446 ' O ' ' OG1' ' A' ' 14' ' ' THR . . . -50.16 -34.1 21.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.582 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.8 t -77.31 -50.89 19.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.69 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.02 -21.9 34.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.753 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 11' ' ' ALA . 0.8 OUTLIER -76.79 -36.09 57.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.245 0.545 . . . . 0.0 110.348 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 mt -63.1 -48.84 76.88 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.135 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.5 t -63.12 -16.76 18.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.757 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -62.55 -69.87 0.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.498 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.21 -62.55 1.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.45 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -64.82 -13.55 56.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.471 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 120.06 -1.65 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.495 ' CG ' ' H ' ' A' ' 3' ' ' SER . 4.8 tp 45.54 -138.77 0.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.415 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.495 ' H ' ' CG ' ' A' ' 2' ' ' LEU . 69.2 m 40.63 34.31 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.704 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.82 -23.59 10.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.288 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.652 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 7.2 mm -72.72 -36.32 3.52 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.365 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.652 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 31.8 Cg_exo -57.0 -48.35 18.7 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.459 2.106 . . . . 0.0 112.08 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.507 ' O ' ' ND1' ' A' ' 7' ' ' HIS . 2.3 t-80 -50.44 -37.99 41.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.593 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.74 -56.04 21.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.622 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.4 mt -60.72 -53.34 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.641 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.521 ' C ' HD21 ' A' ' 10' ' ' ASN . 0.2 OUTLIER -44.3 -44.84 8.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.691 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.05 -62.65 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.654 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.0 t -57.45 -46.49 85.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.675 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.6 -15.79 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.42 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 m -76.04 -37.9 57.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.087 0.47 . . . . 0.0 110.326 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 mt -59.51 -41.73 90.6 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.491 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.0 t -72.35 -20.32 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.278 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -81.35 -51.81 7.96 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.819 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -77.7 -67.62 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.721 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -72.66 -45.21 60.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.579 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 120.058 -1.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 tp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.739 0.304 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.64 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 3.5 mt -71.13 -37.01 5.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.24 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 31.7 Cg_exo -56.98 -30.0 84.76 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.392 2.061 . . . . 0.0 112.083 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -79.49 -40.07 30.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.738 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.66 -50.35 74.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.795 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.7 mt -55.16 -42.91 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.751 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -59.42 -53.28 59.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.59 -45.74 38.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.422 ' C ' ' N ' ' A' ' 14' ' ' THR . 95.2 t -60.8 -52.8 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.691 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -49.1 -16.38 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.646 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.422 ' N ' ' C ' ' A' ' 12' ' ' VAL . 3.6 m -79.02 -37.58 38.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.164 0.507 . . . . 0.0 110.425 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 mt -59.15 -41.34 88.11 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.468 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 t -72.28 -18.77 19.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.626 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -76.3 -59.03 2.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.678 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -70.41 -67.49 0.49 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.689 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.566 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.9 tp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.705 0.288 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.66 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 56.4 mt -77.29 -33.7 1.1 Allowed Pre-proline 0 N--CA 1.454 -0.259 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.385 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.66 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 32.0 Cg_exo -56.7 -53.84 4.58 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 122.255 1.97 . . . . 0.0 112.15 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -66.77 -29.06 68.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.62 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.82 -54.13 46.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.611 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 80.7 mt -48.28 -51.27 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.595 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -45.5 -45.58 13.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.586 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.01 -61.58 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.655 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 14' ' ' THR . 13.8 t -49.19 -32.53 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.712 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -46.16 -15.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.629 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 12' ' ' VAL . 1.6 p -69.27 -38.43 78.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.244 0.545 . . . . 0.0 110.515 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 mt -58.35 -50.07 74.94 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.354 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.2 t -59.88 -22.27 23.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -65.36 -56.04 14.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.673 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -81.49 -64.44 1.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.668 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.491 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 CA--C 1.527 0.086 0 CA-C-O 120.797 0.332 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.65 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 8.0 mm -74.4 -35.74 2.34 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.46 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 32.5 Cg_exo -56.1 -32.71 87.71 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.423 2.082 . . . . 0.0 112.215 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.95 -38.68 64.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.579 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.01 -42.69 69.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.591 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.9 mt -58.46 -42.96 85.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.756 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -43.91 -60.67 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.768 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.02 -43.74 50.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.728 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.467 ' C ' ' N ' ' A' ' 14' ' ' THR . 92.0 t -65.81 -59.43 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.644 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.05 -18.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.699 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.467 ' N ' ' C ' ' A' ' 12' ' ' VAL . 2.1 m -82.3 -43.76 17.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.227 0.537 . . . . 0.0 110.453 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 mt -56.86 -43.73 81.49 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.658 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.402 ' H ' HG23 ' A' ' 16' ' ' VAL . 2.0 t -64.38 -17.47 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.456 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -72.6 -55.6 6.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.647 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -84.81 -64.47 1.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.581 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.477 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.7 tp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.78 0.324 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.668 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 16.6 mt -77.68 -33.85 1.07 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.664 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 39.6 Cg_exo -55.24 -47.1 27.96 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.237 1.958 . . . . 0.0 112.213 -179.538 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -66.42 -34.2 77.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.507 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.59 -48.2 81.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.604 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.8 mt -54.52 -49.3 67.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.624 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -56.82 -43.9 81.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.66 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.409 ' O ' ' OG1' ' A' ' 14' ' ' THR . . . -48.98 -37.63 20.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.748 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.7 t -70.51 -41.82 78.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.8 -21.97 66.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.614 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 11' ' ' ALA . 0.7 OUTLIER -82.2 -34.38 29.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.119 0.485 . . . . 0.0 110.304 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.3 mt -60.39 -52.61 64.52 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.236 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.4 t -65.14 -20.66 27.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.765 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -66.32 -62.96 1.19 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.632 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -84.36 -66.45 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.582 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.438 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 tp . . . . . 0 N--CA 1.461 0.117 0 CA-C-O 120.832 0.349 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.664 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 7.3 mm -73.1 -36.28 3.21 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.28 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.664 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 31.9 Cg_exo -56.83 -37.68 97.53 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 122.428 2.085 . . . . 0.0 112.132 -179.617 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -75.13 -24.92 58.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.692 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.41 -47.96 82.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.715 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.0 mt -43.75 -44.15 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.71 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -61.44 -47.28 86.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.744 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.0 -59.88 3.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.725 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 14' ' ' THR . 43.4 t -55.95 -46.36 80.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.673 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -46.75 -15.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.739 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 12' ' ' VAL . 4.6 m -78.68 -46.01 20.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.228 0.537 . . . . 0.0 110.599 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 mt -53.58 -47.11 70.43 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.84 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.4 ' H ' HG23 ' A' ' 16' ' ' VAL . 2.4 t -64.09 -16.01 18.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.703 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.412 ' CB ' ' O ' ' A' ' 14' ' ' THR . 7.1 t60 -63.14 -56.7 14.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.558 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -83.29 -53.67 5.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.545 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.601 -179.926 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 tp . . . . . 0 N--CA 1.462 0.162 0 CA-C-O 120.761 0.315 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.645 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 4.0 mt -73.23 -36.59 3.3 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.384 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 35.6 Cg_exo -55.7 -43.29 58.99 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 122.431 2.087 . . . . 0.0 112.165 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -55.78 -40.27 72.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.561 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.417 ' O ' ' HB3' ' A' ' 11' ' ' ALA . . . -58.83 -42.13 88.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.702 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.7 mm -57.62 -61.69 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.636 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 -45.81 -36.64 5.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.708 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.479 ' O ' ' OG1' ' A' ' 14' ' ' THR . . . -60.17 -31.78 70.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.581 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.2 t -78.15 -33.45 17.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.72 -20.51 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 11' ' ' ALA . 8.0 p -80.69 -42.4 22.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.226 0.536 . . . . 0.0 110.47 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 mt -57.79 -48.57 79.32 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.148 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.435 ' H ' HG23 ' A' ' 16' ' ' VAL . 2.7 t -63.49 -24.37 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.705 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -74.08 -51.22 16.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.659 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -74.5 -66.28 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.422 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.574 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.8 tp . . . . . 0 N--CA 1.463 0.181 0 CA-C-O 120.758 0.313 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.659 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 9.9 mm -74.23 -35.44 2.3 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.373 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.659 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 32.4 Cg_exo -56.72 -31.88 89.28 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 122.395 2.063 . . . . 0.0 111.95 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -82.03 -29.87 31.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.496 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' A' ' 11' ' ' ALA . . . -62.47 -48.55 79.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.69 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.7 mt -49.39 -62.87 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.475 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -50.94 -47.83 60.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.493 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 8' ' ' ALA . . . -44.6 -45.9 9.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.526 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.8 t -62.02 -52.69 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.656 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.0 -19.87 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.591 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -85.26 -35.75 21.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.178 0.513 . . . . 0.0 110.357 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 mt -61.03 -45.23 95.61 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.574 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.1 t -67.05 -12.0 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.789 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -54.23 -60.11 3.77 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.293 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -86.23 -52.42 5.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.263 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.404 179.916 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.426 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 8.5 tp . . . . . 0 CA--C 1.528 0.103 0 CA-C-O 120.695 0.283 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 6.3 mm -71.41 -37.51 5.68 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.684 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 31.3 Cg_exo -57.51 -43.19 53.42 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 122.46 2.107 . . . . 0.0 112.156 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.427 ' O ' ' ND1' ' A' ' 7' ' ' HIS . 13.2 t-80 -59.7 -32.52 70.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.729 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 -45.87 91.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.712 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.401 HG12 ' H ' ' A' ' 9' ' ' ILE . 17.8 mm -47.8 -49.84 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.627 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -54.45 -35.7 63.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.732 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.08 -48.7 72.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.8 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.464 ' C ' ' N ' ' A' ' 14' ' ' THR . 21.5 t -53.38 -41.23 43.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.785 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.49 -16.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.526 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.464 ' N ' ' C ' ' A' ' 12' ' ' VAL . 4.7 m -79.72 -43.85 21.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.181 0.515 . . . . 0.0 110.335 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 mt -55.26 -42.88 74.1 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.598 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.419 ' H ' HG23 ' A' ' 16' ' ' VAL . 2.0 t -65.42 -18.87 24.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.561 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -66.34 -41.45 89.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.486 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -93.17 -61.97 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.49 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.493 -179.935 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.9 tp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.746 0.308 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.647 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 3.3 mt -72.44 -36.97 4.15 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.3 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 32.5 Cg_exo -56.09 -24.17 48.07 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.416 2.077 . . . . 0.0 112.051 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -76.46 -36.2 58.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.491 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.24 -45.68 90.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.595 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.5 mm -55.92 -41.87 68.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.563 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -59.42 -48.09 82.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.595 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.446 ' O ' ' OG1' ' A' ' 14' ' ' THR . . . -50.16 -34.1 21.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.582 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.8 t -77.31 -50.89 19.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.69 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.02 -21.9 34.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.753 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 11' ' ' ALA . 0.8 OUTLIER -76.79 -36.09 57.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.245 0.545 . . . . 0.0 110.348 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 mt -63.1 -48.84 76.88 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.135 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.5 t -63.12 -16.76 18.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.757 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -62.55 -69.87 0.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.498 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.21 -62.55 1.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.45 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.471 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.588 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.462 0.159 0 CA-C-O 120.961 0.41 . . . . 0.0 110.288 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.652 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 7.2 mm -72.72 -36.32 3.52 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.365 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.652 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 31.8 Cg_exo -57.0 -48.35 18.7 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.459 2.106 . . . . 0.0 112.08 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.477 ' HD1' ' C ' ' A' ' 7' ' ' HIS . 2.3 t-80 -50.44 -37.99 41.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.593 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.74 -56.04 21.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.622 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.4 mt -60.72 -53.34 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.641 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 33.9 t-20 -44.3 -44.84 8.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.691 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.05 -62.65 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.654 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.0 t -57.45 -46.49 85.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.675 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.6 -15.79 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.42 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 m -76.04 -37.9 57.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.087 0.47 . . . . 0.0 110.326 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 mt -59.51 -41.73 90.6 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.491 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.0 t -72.35 -20.32 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.278 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -81.35 -51.81 7.96 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.819 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -77.7 -67.62 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.721 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.579 179.994 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 4.3 p90 . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.51 HD23 ' C ' ' A' ' 2' ' ' LEU . 2.1 tt -78.64 96.81 5.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.527 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' A' ' 2' ' ' LEU . 8.4 m -177.2 25.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.356 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 tp -119.03 -17.59 8.97 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.651 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.64 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 3.5 mt -71.13 -37.01 5.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.24 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 31.7 Cg_exo -56.98 -30.0 84.76 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.392 2.061 . . . . 0.0 112.083 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -79.49 -40.07 30.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.738 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.66 -50.35 74.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.795 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.7 mt -55.16 -42.91 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.751 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -59.42 -53.28 59.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.59 -45.74 38.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.422 ' C ' ' N ' ' A' ' 14' ' ' THR . 95.2 t -60.8 -52.8 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.691 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -49.1 -16.38 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.646 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.422 ' N ' ' C ' ' A' ' 12' ' ' VAL . 3.6 m -79.02 -37.58 38.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.164 0.507 . . . . 0.0 110.425 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 mt -59.15 -41.34 88.11 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.468 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 t -72.28 -18.77 19.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.626 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -76.3 -59.03 2.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.678 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -70.41 -67.49 0.49 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.689 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -69.33 -62.3 1.44 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.566 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 120.091 -1.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 65.2 mt 51.94 -97.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.571 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m 56.28 179.81 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.373 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.9 tp -82.52 40.14 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.706 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.66 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 56.4 mt -77.29 -33.7 1.1 Allowed Pre-proline 0 N--CA 1.454 -0.259 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.385 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.66 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 32.0 Cg_exo -56.7 -53.84 4.58 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 122.255 1.97 . . . . 0.0 112.15 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -66.77 -29.06 68.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.62 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.82 -54.13 46.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.611 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 80.7 mt -48.28 -51.27 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.595 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -45.5 -45.58 13.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.586 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.01 -61.58 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.655 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 14' ' ' THR . 13.8 t -49.19 -32.53 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.712 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -46.16 -15.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.629 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 12' ' ' VAL . 1.6 p -69.27 -38.43 78.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.244 0.545 . . . . 0.0 110.515 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 mt -58.35 -50.07 74.94 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.354 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.2 t -59.88 -22.27 23.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -65.36 -56.04 14.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.673 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -81.49 -64.44 1.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.668 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -59.24 -6.65 0.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.491 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 120.045 -1.66 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 18.2 p90 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.555 ' H ' HD23 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -90.61 81.3 5.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.441 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 2' ' ' LEU . 8.9 m -175.97 -18.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.529 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.8 mp -100.63 -3.46 30.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.442 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.65 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 8.0 mm -74.4 -35.74 2.34 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.46 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 32.5 Cg_exo -56.1 -32.71 87.71 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.423 2.082 . . . . 0.0 112.215 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.95 -38.68 64.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.579 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.01 -42.69 69.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.591 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.9 mt -58.46 -42.96 85.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.756 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -43.91 -60.67 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.768 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.02 -43.74 50.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.728 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.467 ' C ' ' N ' ' A' ' 14' ' ' THR . 92.0 t -65.81 -59.43 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.644 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.05 -18.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.699 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.467 ' N ' ' C ' ' A' ' 12' ' ' VAL . 2.1 m -82.3 -43.76 17.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.227 0.537 . . . . 0.0 110.453 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 mt -56.86 -43.73 81.49 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.658 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.402 ' H ' HG23 ' A' ' 16' ' ' VAL . 2.0 t -64.38 -17.47 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.456 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -72.6 -55.6 6.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.647 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -84.81 -64.47 1.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.581 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -64.63 15.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.477 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 120.046 -1.659 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.413 ' O ' ' O ' ' A' ' 3' ' ' SER . 18.2 mt 57.55 67.79 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.577 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 2' ' ' LEU . 16.4 m -60.66 -141.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.6 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.7 tp -83.8 34.46 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.473 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.668 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 16.6 mt -77.68 -33.85 1.07 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.664 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 39.6 Cg_exo -55.24 -47.1 27.96 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.237 1.958 . . . . 0.0 112.213 -179.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -66.42 -34.2 77.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.507 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.59 -48.2 81.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.604 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.8 mt -54.52 -49.3 67.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.624 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -56.82 -43.9 81.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.66 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.409 ' O ' ' OG1' ' A' ' 14' ' ' THR . . . -48.98 -37.63 20.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.748 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.7 t -70.51 -41.82 78.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.8 -21.97 66.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.614 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 11' ' ' ALA . 0.7 OUTLIER -82.2 -34.38 29.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.119 0.485 . . . . 0.0 110.304 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.3 mt -60.39 -52.61 64.52 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.236 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.4 t -65.14 -20.66 27.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.765 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -66.32 -62.96 1.19 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.632 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -84.36 -66.45 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.582 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -65.15 -102.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.438 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.292 0 O-C-N 120.034 -1.667 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.632 HD22 ' N ' ' A' ' 2' ' ' LEU . 3.5 mm? -74.3 -177.55 3.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.421 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t 57.1 18.93 4.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.523 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 tp -105.97 -8.26 17.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.449 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.664 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 7.3 mm -73.1 -36.28 3.21 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.28 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.664 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 31.9 Cg_exo -56.83 -37.68 97.53 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 122.428 2.085 . . . . 0.0 112.132 -179.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -75.13 -24.92 58.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.692 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.41 -47.96 82.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.715 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.0 mt -43.75 -44.15 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.71 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -61.44 -47.28 86.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.744 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.0 -59.88 3.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.725 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 14' ' ' THR . 43.4 t -55.95 -46.36 80.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.673 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -46.75 -15.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.739 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 12' ' ' VAL . 4.6 m -78.68 -46.01 20.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.228 0.537 . . . . 0.0 110.599 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 mt -53.58 -47.11 70.43 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.84 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.4 ' H ' HG23 ' A' ' 16' ' ' VAL . 2.4 t -64.09 -16.01 18.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.703 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.412 ' CB ' ' O ' ' A' ' 14' ' ' THR . 7.1 t60 -63.14 -56.7 14.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.558 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -83.29 -53.67 5.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.545 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -66.09 -76.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.601 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.073 -1.642 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 13.4 mt 55.34 39.35 31.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.624 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.436 ' H ' ' H ' ' A' ' 4' ' ' LEU . 4.8 m -177.92 -8.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.63 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.436 ' H ' ' H ' ' A' ' 3' ' ' SER . 4.2 tp -123.09 -12.77 7.88 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.526 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.645 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 4.0 mt -73.23 -36.59 3.3 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.384 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 35.6 Cg_exo -55.7 -43.29 58.99 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 122.431 2.087 . . . . 0.0 112.165 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -55.78 -40.27 72.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.561 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.417 ' O ' ' HB3' ' A' ' 11' ' ' ALA . . . -58.83 -42.13 88.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.702 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.7 mm -57.62 -61.69 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.636 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 -45.81 -36.64 5.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.708 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.479 ' O ' ' OG1' ' A' ' 14' ' ' THR . . . -60.17 -31.78 70.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.581 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.2 t -78.15 -33.45 17.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.72 -20.51 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 11' ' ' ALA . 8.0 p -80.69 -42.4 22.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.226 0.536 . . . . 0.0 110.47 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 mt -57.79 -48.57 79.32 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.148 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.435 ' H ' HG23 ' A' ' 16' ' ' VAL . 2.7 t -63.49 -24.37 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.705 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -74.08 -51.22 16.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.659 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -74.5 -66.28 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.422 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -69.34 28.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.574 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 120.071 -1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.486 ' CD1' ' N ' ' A' ' 1' ' ' PHE . 3.9 m-85 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.475 ' N ' HD12 ' A' ' 2' ' ' LEU . 7.3 mp -81.54 130.5 35.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.433 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m 178.86 1.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.589 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.8 tp -118.57 -30.66 5.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.476 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.659 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 9.9 mm -74.23 -35.44 2.3 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.373 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.659 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 32.4 Cg_exo -56.72 -31.88 89.28 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 122.395 2.063 . . . . 0.0 111.95 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -82.03 -29.87 31.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.496 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' A' ' 11' ' ' ALA . . . -62.47 -48.55 79.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.69 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.7 mt -49.39 -62.87 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.475 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -50.94 -47.83 60.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.493 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 8' ' ' ALA . . . -44.6 -45.9 9.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.526 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.8 t -62.02 -52.69 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.656 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.0 -19.87 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.591 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -85.26 -35.75 21.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.178 0.513 . . . . 0.0 110.357 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 mt -61.03 -45.23 95.61 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.574 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.1 t -67.05 -12.0 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.789 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -54.23 -60.11 3.77 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.293 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -86.23 -52.42 5.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.263 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -49.84 -79.9 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.404 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 120.105 -1.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 27.3 mt -59.31 -175.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.501 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 t 54.74 30.59 13.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.618 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.426 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 8.5 tp -115.88 -57.97 2.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.831 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 6.3 mm -71.41 -37.51 5.68 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.684 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 31.3 Cg_exo -57.51 -43.19 53.42 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 122.46 2.107 . . . . 0.0 112.156 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.427 ' O ' ' ND1' ' A' ' 7' ' ' HIS . 13.2 t-80 -59.7 -32.52 70.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.729 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 -45.87 91.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.712 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.401 HG12 ' H ' ' A' ' 9' ' ' ILE . 17.8 mm -47.8 -49.84 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.627 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -54.45 -35.7 63.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.732 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.08 -48.7 72.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.8 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.464 ' C ' ' N ' ' A' ' 14' ' ' THR . 21.5 t -53.38 -41.23 43.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.785 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.49 -16.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.526 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.464 ' N ' ' C ' ' A' ' 12' ' ' VAL . 4.7 m -79.72 -43.85 21.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.181 0.515 . . . . 0.0 110.335 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 mt -55.26 -42.88 74.1 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.598 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.419 ' H ' HG23 ' A' ' 16' ' ' VAL . 2.0 t -65.42 -18.87 24.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.561 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -66.34 -41.45 89.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.486 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -93.17 -61.97 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.49 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -45.92 -62.16 1.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.493 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 120.018 -1.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.463 ' O ' ' O ' ' A' ' 2' ' ' LEU . 7.6 m-85 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.616 ' N ' HD12 ' A' ' 2' ' ' LEU . 9.2 mp 57.04 122.54 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.57 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.16 -3.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.513 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.9 tp -116.46 -18.87 10.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.505 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.647 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 3.3 mt -72.44 -36.97 4.15 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.3 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 32.5 Cg_exo -56.09 -24.17 48.07 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.416 2.077 . . . . 0.0 112.051 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -76.46 -36.2 58.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.491 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.24 -45.68 90.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.595 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.5 mm -55.92 -41.87 68.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.563 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -59.42 -48.09 82.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.595 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.446 ' O ' ' OG1' ' A' ' 14' ' ' THR . . . -50.16 -34.1 21.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.582 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.8 t -77.31 -50.89 19.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.69 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.02 -21.9 34.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.753 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 11' ' ' ALA . 0.8 OUTLIER -76.79 -36.09 57.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.245 0.545 . . . . 0.0 110.348 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 mt -63.1 -48.84 76.88 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.135 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.5 t -63.12 -16.76 18.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.757 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -62.55 -69.87 0.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.498 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.21 -62.55 1.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.45 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -64.82 -13.55 56.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.471 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 120.06 -1.65 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.455 ' CG ' ' H ' ' A' ' 3' ' ' SER . 4.8 tp 45.54 -138.77 0.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.415 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.455 ' H ' ' CG ' ' A' ' 2' ' ' LEU . 69.2 m 40.63 34.31 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.704 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.588 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -111.82 -23.59 10.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.288 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.652 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 7.2 mm -72.72 -36.32 3.52 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.365 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.652 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 31.8 Cg_exo -57.0 -48.35 18.7 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.459 2.106 . . . . 0.0 112.08 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.477 ' HD1' ' C ' ' A' ' 7' ' ' HIS . 2.3 t-80 -50.44 -37.99 41.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.593 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.74 -56.04 21.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.622 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.4 mt -60.72 -53.34 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.641 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 33.9 t-20 -44.3 -44.84 8.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.691 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.05 -62.65 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.654 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.0 t -57.45 -46.49 85.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.675 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.6 -15.79 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.42 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 m -76.04 -37.9 57.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.087 0.47 . . . . 0.0 110.326 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 mt -59.51 -41.73 90.6 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.491 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.0 t -72.35 -20.32 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.278 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -81.35 -51.81 7.96 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.819 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -77.7 -67.62 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.721 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -72.66 -45.21 60.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.579 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 120.058 -1.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 tp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.739 0.304 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.64 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 3.5 mt -71.13 -37.01 5.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.24 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 31.7 Cg_exo -56.98 -30.0 84.76 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.392 2.061 . . . . 0.0 112.083 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -79.49 -40.07 30.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.738 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.66 -50.35 74.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.795 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.7 mt -55.16 -42.91 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.751 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -59.42 -53.28 59.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.59 -45.74 38.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.422 ' C ' ' N ' ' A' ' 14' ' ' THR . 95.2 t -60.8 -52.8 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.691 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -49.1 -16.38 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.646 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.422 ' N ' ' C ' ' A' ' 12' ' ' VAL . 3.6 m -79.02 -37.58 38.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.164 0.507 . . . . 0.0 110.425 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 mt -59.15 -41.34 88.11 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.468 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 t -72.28 -18.77 19.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.626 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -76.3 -59.03 2.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.678 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -70.41 -67.49 0.49 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.689 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.566 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.9 tp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.705 0.288 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.66 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 56.4 mt -77.29 -33.7 1.1 Allowed Pre-proline 0 N--CA 1.454 -0.259 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.385 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.66 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 32.0 Cg_exo -56.7 -53.84 4.58 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 122.255 1.97 . . . . 0.0 112.15 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -66.77 -29.06 68.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.62 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.82 -54.13 46.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.611 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 80.7 mt -48.28 -51.27 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.595 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -45.5 -45.58 13.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.586 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.01 -61.58 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.655 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 14' ' ' THR . 13.8 t -49.19 -32.53 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.712 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -46.16 -15.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.629 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 12' ' ' VAL . 1.6 p -69.27 -38.43 78.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.244 0.545 . . . . 0.0 110.515 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 mt -58.35 -50.07 74.94 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.354 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.2 t -59.88 -22.27 23.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -65.36 -56.04 14.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.673 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -81.49 -64.44 1.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.668 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.491 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 CA--C 1.527 0.086 0 CA-C-O 120.797 0.332 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.65 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 8.0 mm -74.4 -35.74 2.34 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.46 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 32.5 Cg_exo -56.1 -32.71 87.71 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.423 2.082 . . . . 0.0 112.215 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.95 -38.68 64.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.579 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.01 -42.69 69.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.591 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.9 mt -58.46 -42.96 85.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.756 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -43.91 -60.67 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.768 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.02 -43.74 50.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.728 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.467 ' C ' ' N ' ' A' ' 14' ' ' THR . 92.0 t -65.81 -59.43 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.644 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.05 -18.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.699 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.467 ' N ' ' C ' ' A' ' 12' ' ' VAL . 2.1 m -82.3 -43.76 17.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.227 0.537 . . . . 0.0 110.453 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 mt -56.86 -43.73 81.49 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.658 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.402 ' H ' HG23 ' A' ' 16' ' ' VAL . 2.0 t -64.38 -17.47 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.456 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -72.6 -55.6 6.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.647 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -84.81 -64.47 1.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.581 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.477 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.7 tp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.78 0.324 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.668 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 16.6 mt -77.68 -33.85 1.07 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.664 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 39.6 Cg_exo -55.24 -47.1 27.96 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.237 1.958 . . . . 0.0 112.213 -179.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -66.42 -34.2 77.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.507 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.59 -48.2 81.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.604 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.8 mt -54.52 -49.3 67.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.624 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -56.82 -43.9 81.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.66 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.409 ' O ' ' OG1' ' A' ' 14' ' ' THR . . . -48.98 -37.63 20.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.748 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.7 t -70.51 -41.82 78.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.8 -21.97 66.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.614 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 11' ' ' ALA . 0.7 OUTLIER -82.2 -34.38 29.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.119 0.485 . . . . 0.0 110.304 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.3 mt -60.39 -52.61 64.52 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.236 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.4 t -65.14 -20.66 27.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.765 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -66.32 -62.96 1.19 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.632 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -84.36 -66.45 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.582 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.438 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 tp . . . . . 0 N--CA 1.461 0.117 0 CA-C-O 120.832 0.349 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.664 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 7.3 mm -73.1 -36.28 3.21 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.28 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.664 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 31.9 Cg_exo -56.83 -37.68 97.53 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 122.428 2.085 . . . . 0.0 112.132 -179.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -75.13 -24.92 58.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.692 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.41 -47.96 82.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.715 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.0 mt -43.75 -44.15 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.71 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -61.44 -47.28 86.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.744 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.0 -59.88 3.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.725 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 14' ' ' THR . 43.4 t -55.95 -46.36 80.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.673 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -46.75 -15.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.739 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 12' ' ' VAL . 4.6 m -78.68 -46.01 20.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.228 0.537 . . . . 0.0 110.599 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 mt -53.58 -47.11 70.43 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.84 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.4 ' H ' HG23 ' A' ' 16' ' ' VAL . 2.4 t -64.09 -16.01 18.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.703 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.412 ' CB ' ' O ' ' A' ' 14' ' ' THR . 7.1 t60 -63.14 -56.7 14.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.558 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -83.29 -53.67 5.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.545 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.601 -179.926 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 tp . . . . . 0 N--CA 1.462 0.162 0 CA-C-O 120.761 0.315 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.645 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 4.0 mt -73.23 -36.59 3.3 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.384 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 35.6 Cg_exo -55.7 -43.29 58.99 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 122.431 2.087 . . . . 0.0 112.165 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -55.78 -40.27 72.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.561 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.417 ' O ' ' HB3' ' A' ' 11' ' ' ALA . . . -58.83 -42.13 88.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.702 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.7 mm -57.62 -61.69 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.636 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.544 HD22 ' C ' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -45.81 -36.64 5.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.708 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.479 ' O ' ' OG1' ' A' ' 14' ' ' THR . . . -60.17 -31.78 70.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.581 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.2 t -78.15 -33.45 17.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.72 -20.51 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 11' ' ' ALA . 8.0 p -80.69 -42.4 22.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.226 0.536 . . . . 0.0 110.47 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 mt -57.79 -48.57 79.32 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.148 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.435 ' H ' HG23 ' A' ' 16' ' ' VAL . 2.7 t -63.49 -24.37 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.705 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -74.08 -51.22 16.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.659 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -74.5 -66.28 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.422 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.574 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.8 tp . . . . . 0 N--CA 1.463 0.181 0 CA-C-O 120.758 0.313 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.659 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 9.9 mm -74.23 -35.44 2.3 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.373 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.659 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 32.4 Cg_exo -56.72 -31.88 89.28 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 122.395 2.063 . . . . 0.0 111.95 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -82.03 -29.87 31.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.496 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' A' ' 11' ' ' ALA . . . -62.47 -48.55 79.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.69 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.7 mt -49.39 -62.87 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.475 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -50.94 -47.83 60.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.493 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 8' ' ' ALA . . . -44.6 -45.9 9.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.526 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.8 t -62.02 -52.69 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.656 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.0 -19.87 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.591 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -85.26 -35.75 21.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.178 0.513 . . . . 0.0 110.357 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 mt -61.03 -45.23 95.61 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.574 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.1 t -67.05 -12.0 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.789 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -54.23 -60.11 3.77 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.293 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -86.23 -52.42 5.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.263 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.404 179.916 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.426 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 8.5 tp . . . . . 0 CA--C 1.528 0.103 0 CA-C-O 120.695 0.283 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 6.3 mm -71.41 -37.51 5.68 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.684 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 31.3 Cg_exo -57.51 -43.19 53.42 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 122.46 2.107 . . . . 0.0 112.156 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.427 ' O ' ' ND1' ' A' ' 7' ' ' HIS . 13.2 t-80 -59.7 -32.52 70.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.729 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 -45.87 91.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.712 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.401 HG12 ' H ' ' A' ' 9' ' ' ILE . 17.8 mm -47.8 -49.84 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.627 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -54.45 -35.7 63.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.732 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.08 -48.7 72.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.8 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.464 ' C ' ' N ' ' A' ' 14' ' ' THR . 21.5 t -53.38 -41.23 43.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.785 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.49 -16.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.526 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.464 ' N ' ' C ' ' A' ' 12' ' ' VAL . 4.7 m -79.72 -43.85 21.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.181 0.515 . . . . 0.0 110.335 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 mt -55.26 -42.88 74.1 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.598 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.419 ' H ' HG23 ' A' ' 16' ' ' VAL . 2.0 t -65.42 -18.87 24.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.561 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -66.34 -41.45 89.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.486 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -93.17 -61.97 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.49 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.493 -179.935 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.9 tp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.746 0.308 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.647 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 3.3 mt -72.44 -36.97 4.15 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.3 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 32.5 Cg_exo -56.09 -24.17 48.07 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.416 2.077 . . . . 0.0 112.051 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -76.46 -36.2 58.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.491 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.24 -45.68 90.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.595 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.5 mm -55.92 -41.87 68.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.563 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -59.42 -48.09 82.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.595 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.446 ' O ' ' OG1' ' A' ' 14' ' ' THR . . . -50.16 -34.1 21.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.582 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.8 t -77.31 -50.89 19.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.69 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.02 -21.9 34.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.753 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 11' ' ' ALA . 0.8 OUTLIER -76.79 -36.09 57.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.245 0.545 . . . . 0.0 110.348 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 mt -63.1 -48.84 76.88 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.135 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.5 t -63.12 -16.76 18.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.757 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -62.55 -69.87 0.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.498 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.21 -62.55 1.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.45 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.471 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.588 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.462 0.159 0 CA-C-O 120.961 0.41 . . . . 0.0 110.288 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.652 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 7.2 mm -72.72 -36.32 3.52 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.365 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.652 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 31.8 Cg_exo -57.0 -48.35 18.7 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.459 2.106 . . . . 0.0 112.08 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.477 ' HD1' ' C ' ' A' ' 7' ' ' HIS . 2.3 t-80 -50.44 -37.99 41.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.593 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.74 -56.04 21.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.622 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.4 mt -60.72 -53.34 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.641 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.541 HD22 ' C ' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -44.3 -44.84 8.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.691 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.05 -62.65 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.654 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.0 t -57.45 -46.49 85.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.675 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.6 -15.79 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.42 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 m -76.04 -37.9 57.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.087 0.47 . . . . 0.0 110.326 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 mt -59.51 -41.73 90.6 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.491 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.0 t -72.35 -20.32 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.278 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -81.35 -51.81 7.96 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.819 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -77.7 -67.62 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.721 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.579 179.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 4.3 p90 . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.51 HD23 ' C ' ' A' ' 2' ' ' LEU . 2.1 tt -78.64 96.81 5.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.527 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' A' ' 2' ' ' LEU . 8.4 m -177.2 25.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.356 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 tp -119.03 -17.59 8.97 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.651 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.64 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 3.5 mt -71.13 -37.01 5.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.24 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 31.7 Cg_exo -56.98 -30.0 84.76 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.392 2.061 . . . . 0.0 112.083 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -79.49 -40.07 30.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.738 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.66 -50.35 74.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.795 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.7 mt -55.16 -42.91 68.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.751 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -59.42 -53.28 59.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.59 -45.74 38.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.422 ' C ' ' N ' ' A' ' 14' ' ' THR . 95.2 t -60.8 -52.8 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.691 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -49.1 -16.38 0.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.646 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.422 ' N ' ' C ' ' A' ' 12' ' ' VAL . 3.6 m -79.02 -37.58 38.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.164 0.507 . . . . 0.0 110.425 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 mt -59.15 -41.34 88.11 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.468 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 t -72.28 -18.77 19.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.626 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -76.3 -59.03 2.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.678 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -70.41 -67.49 0.49 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.689 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -69.33 -62.3 1.44 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.566 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 120.091 -1.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 65.2 mt 51.94 -97.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.571 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m 56.28 179.81 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.373 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.9 tp -82.52 40.14 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.706 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.66 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 56.4 mt -77.29 -33.7 1.1 Allowed Pre-proline 0 N--CA 1.454 -0.259 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.385 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.66 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 32.0 Cg_exo -56.7 -53.84 4.58 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 122.255 1.97 . . . . 0.0 112.15 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -66.77 -29.06 68.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.62 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.82 -54.13 46.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.611 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 80.7 mt -48.28 -51.27 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.595 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -45.5 -45.58 13.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.586 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.01 -61.58 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.655 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 14' ' ' THR . 13.8 t -49.19 -32.53 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.712 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -46.16 -15.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.629 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 12' ' ' VAL . 1.6 p -69.27 -38.43 78.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.244 0.545 . . . . 0.0 110.515 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 mt -58.35 -50.07 74.94 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.354 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.2 t -59.88 -22.27 23.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -65.36 -56.04 14.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.673 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -81.49 -64.44 1.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.668 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -59.24 -6.65 0.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.491 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 120.045 -1.66 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 18.2 p90 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.555 ' H ' HD23 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -90.61 81.3 5.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.441 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 2' ' ' LEU . 8.9 m -175.97 -18.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.529 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.8 mp -100.63 -3.46 30.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.442 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.65 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 8.0 mm -74.4 -35.74 2.34 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.46 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 32.5 Cg_exo -56.1 -32.71 87.71 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.423 2.082 . . . . 0.0 112.215 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.95 -38.68 64.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.579 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.01 -42.69 69.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.591 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.9 mt -58.46 -42.96 85.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.756 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -43.91 -60.67 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.768 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.02 -43.74 50.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.728 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.467 ' C ' ' N ' ' A' ' 14' ' ' THR . 92.0 t -65.81 -59.43 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.644 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -45.05 -18.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.699 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.467 ' N ' ' C ' ' A' ' 12' ' ' VAL . 2.1 m -82.3 -43.76 17.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.227 0.537 . . . . 0.0 110.453 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 mt -56.86 -43.73 81.49 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.658 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.402 ' H ' HG23 ' A' ' 16' ' ' VAL . 2.0 t -64.38 -17.47 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.456 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -72.6 -55.6 6.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.647 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -84.81 -64.47 1.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.581 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -64.63 15.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.477 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 120.046 -1.659 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.413 ' O ' ' O ' ' A' ' 3' ' ' SER . 18.2 mt 57.55 67.79 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.577 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 2' ' ' LEU . 16.4 m -60.66 -141.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.6 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.7 tp -83.8 34.46 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.473 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.668 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 16.6 mt -77.68 -33.85 1.07 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.664 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 39.6 Cg_exo -55.24 -47.1 27.96 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.237 1.958 . . . . 0.0 112.213 -179.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -66.42 -34.2 77.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.507 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.59 -48.2 81.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.604 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.8 mt -54.52 -49.3 67.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.624 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -56.82 -43.9 81.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.66 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.409 ' O ' ' OG1' ' A' ' 14' ' ' THR . . . -48.98 -37.63 20.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.748 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.7 t -70.51 -41.82 78.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.8 -21.97 66.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.614 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 11' ' ' ALA . 0.7 OUTLIER -82.2 -34.38 29.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.119 0.485 . . . . 0.0 110.304 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.3 mt -60.39 -52.61 64.52 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.236 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.4 t -65.14 -20.66 27.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.765 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -66.32 -62.96 1.19 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.632 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -84.36 -66.45 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.582 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -65.15 -102.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.438 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.292 0 O-C-N 120.034 -1.667 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.632 HD22 ' N ' ' A' ' 2' ' ' LEU . 3.5 mm? -74.3 -177.55 3.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.421 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t 57.1 18.93 4.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.523 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 tp -105.97 -8.26 17.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.449 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.664 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 7.3 mm -73.1 -36.28 3.21 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.28 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.664 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 31.9 Cg_exo -56.83 -37.68 97.53 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 122.428 2.085 . . . . 0.0 112.132 -179.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -75.13 -24.92 58.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.692 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.41 -47.96 82.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.715 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.0 mt -43.75 -44.15 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.71 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -61.44 -47.28 86.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.744 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -48.0 -59.88 3.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.725 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 14' ' ' THR . 43.4 t -55.95 -46.36 80.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.673 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -46.75 -15.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.739 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 12' ' ' VAL . 4.6 m -78.68 -46.01 20.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.228 0.537 . . . . 0.0 110.599 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 mt -53.58 -47.11 70.43 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.84 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.4 ' H ' HG23 ' A' ' 16' ' ' VAL . 2.4 t -64.09 -16.01 18.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.703 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.412 ' CB ' ' O ' ' A' ' 14' ' ' THR . 7.1 t60 -63.14 -56.7 14.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.558 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -83.29 -53.67 5.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.545 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -66.09 -76.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.601 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.073 -1.642 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 13.4 mt 55.34 39.35 31.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.624 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.436 ' H ' ' H ' ' A' ' 4' ' ' LEU . 4.8 m -177.92 -8.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.63 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.436 ' H ' ' H ' ' A' ' 3' ' ' SER . 4.2 tp -123.09 -12.77 7.88 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.526 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.645 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 4.0 mt -73.23 -36.59 3.3 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.384 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 35.6 Cg_exo -55.7 -43.29 58.99 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 122.431 2.087 . . . . 0.0 112.165 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -55.78 -40.27 72.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.561 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.417 ' O ' ' HB3' ' A' ' 11' ' ' ALA . . . -58.83 -42.13 88.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.702 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.7 mm -57.62 -61.69 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.636 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.544 HD22 ' C ' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -45.81 -36.64 5.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.708 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.479 ' O ' ' OG1' ' A' ' 14' ' ' THR . . . -60.17 -31.78 70.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.581 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.2 t -78.15 -33.45 17.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.72 -20.51 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 11' ' ' ALA . 8.0 p -80.69 -42.4 22.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.226 0.536 . . . . 0.0 110.47 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 mt -57.79 -48.57 79.32 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.148 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.435 ' H ' HG23 ' A' ' 16' ' ' VAL . 2.7 t -63.49 -24.37 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.705 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -74.08 -51.22 16.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.659 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -74.5 -66.28 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.422 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -69.34 28.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.574 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 120.071 -1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.486 ' CD1' ' N ' ' A' ' 1' ' ' PHE . 3.9 m-85 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.475 ' N ' HD12 ' A' ' 2' ' ' LEU . 7.3 mp -81.54 130.5 35.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.433 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m 178.86 1.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.589 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.8 tp -118.57 -30.66 5.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.476 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.659 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 9.9 mm -74.23 -35.44 2.3 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.373 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.659 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 32.4 Cg_exo -56.72 -31.88 89.28 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 122.395 2.063 . . . . 0.0 111.95 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -82.03 -29.87 31.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.496 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' A' ' 11' ' ' ALA . . . -62.47 -48.55 79.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.69 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.7 mt -49.39 -62.87 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.475 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -50.94 -47.83 60.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.493 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 8' ' ' ALA . . . -44.6 -45.9 9.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.526 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.8 t -62.02 -52.69 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.656 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.0 -19.87 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.591 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -85.26 -35.75 21.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.178 0.513 . . . . 0.0 110.357 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 mt -61.03 -45.23 95.61 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.574 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.1 t -67.05 -12.0 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.789 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -54.23 -60.11 3.77 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.293 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -86.23 -52.42 5.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.263 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -49.84 -79.9 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.404 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 120.105 -1.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 27.3 mt -59.31 -175.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.501 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 t 54.74 30.59 13.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.618 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.426 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 8.5 tp -115.88 -57.97 2.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.831 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 6.3 mm -71.41 -37.51 5.68 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.684 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 31.3 Cg_exo -57.51 -43.19 53.42 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 122.46 2.107 . . . . 0.0 112.156 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.427 ' O ' ' ND1' ' A' ' 7' ' ' HIS . 13.2 t-80 -59.7 -32.52 70.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.729 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 -45.87 91.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.712 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.401 HG12 ' H ' ' A' ' 9' ' ' ILE . 17.8 mm -47.8 -49.84 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.627 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -54.45 -35.7 63.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.732 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.08 -48.7 72.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.8 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.464 ' C ' ' N ' ' A' ' 14' ' ' THR . 21.5 t -53.38 -41.23 43.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.785 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.49 -16.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.526 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.464 ' N ' ' C ' ' A' ' 12' ' ' VAL . 4.7 m -79.72 -43.85 21.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.181 0.515 . . . . 0.0 110.335 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 mt -55.26 -42.88 74.1 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.598 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.419 ' H ' HG23 ' A' ' 16' ' ' VAL . 2.0 t -65.42 -18.87 24.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.561 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -66.34 -41.45 89.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.486 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -93.17 -61.97 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.49 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -45.92 -62.16 1.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.493 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 120.018 -1.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.463 ' O ' ' O ' ' A' ' 2' ' ' LEU . 7.6 m-85 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.616 ' N ' HD12 ' A' ' 2' ' ' LEU . 9.2 mp 57.04 122.54 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.57 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.16 -3.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.513 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.9 tp -116.46 -18.87 10.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.505 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.647 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 3.3 mt -72.44 -36.97 4.15 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.3 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 32.5 Cg_exo -56.09 -24.17 48.07 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.416 2.077 . . . . 0.0 112.051 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -76.46 -36.2 58.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.491 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.24 -45.68 90.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.595 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.5 mm -55.92 -41.87 68.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.563 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -59.42 -48.09 82.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.595 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.446 ' O ' ' OG1' ' A' ' 14' ' ' THR . . . -50.16 -34.1 21.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.582 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.8 t -77.31 -50.89 19.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.69 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.02 -21.9 34.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.753 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 11' ' ' ALA . 0.8 OUTLIER -76.79 -36.09 57.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.245 0.545 . . . . 0.0 110.348 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 mt -63.1 -48.84 76.88 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.135 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.5 t -63.12 -16.76 18.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.757 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -62.55 -69.87 0.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.498 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.21 -62.55 1.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.45 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -64.82 -13.55 56.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.471 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 120.06 -1.65 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.455 ' CG ' ' H ' ' A' ' 3' ' ' SER . 4.8 tp 45.54 -138.77 0.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.415 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.455 ' H ' ' CG ' ' A' ' 2' ' ' LEU . 69.2 m 40.63 34.31 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.704 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.588 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -111.82 -23.59 10.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.288 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.652 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 7.2 mm -72.72 -36.32 3.52 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.365 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.652 ' CD ' ' N ' ' A' ' 5' ' ' ILE . 31.8 Cg_exo -57.0 -48.35 18.7 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.459 2.106 . . . . 0.0 112.08 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.477 ' HD1' ' C ' ' A' ' 7' ' ' HIS . 2.3 t-80 -50.44 -37.99 41.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.593 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.74 -56.04 21.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.622 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.4 mt -60.72 -53.34 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.641 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.541 HD22 ' C ' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -44.3 -44.84 8.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.691 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.05 -62.65 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.654 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.0 t -57.45 -46.49 85.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.675 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.6 -15.79 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.42 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 m -76.04 -37.9 57.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.087 0.47 . . . . 0.0 110.326 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 mt -59.51 -41.73 90.6 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.491 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.0 t -72.35 -20.32 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.278 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -81.35 -51.81 7.96 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.819 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -77.7 -67.62 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.721 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -72.66 -45.21 60.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.579 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 120.058 -1.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_